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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/D4-179ffdb8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-179ffdb8/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 1
Temperature: 1.100000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -148.380210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.380210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.380210 (E_RNA)
where:
Base-Base interactions energy: -80.081
where: short stacking energy: -62.445
Base-Backbone interact. energy: -0.011
local terms energy: -68.287741
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -16.016
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -131.450238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.450238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.450238 (E_RNA)
where:
Base-Base interactions energy: -62.448
where: short stacking energy: -62.448
Base-Backbone interact. energy: -0.002
local terms energy: -68.999749
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -116.980860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.980860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.980860 (E_RNA)
where:
Base-Base interactions energy: -57.249
where: short stacking energy: -47.005
Base-Backbone interact. energy: -0.122
local terms energy: -59.609775
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -7.352
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -111.670614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.670614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.670614 (E_RNA)
where:
Base-Base interactions energy: -51.159
where: short stacking energy: -36.412
Base-Backbone interact. energy: -0.113
local terms energy: -60.398781
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -7.177
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -137.124120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.124120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.124120 (E_RNA)
where:
Base-Base interactions energy: -77.377
where: short stacking energy: -39.920
Base-Backbone interact. energy: 1.517
local terms energy: -61.263453
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -106.765299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.765299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.765299 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -42.730
Base-Backbone interact. energy: -1.392
local terms energy: -60.204199
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -102.136446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.136446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.136446 (E_RNA)
where:
Base-Base interactions energy: -42.966
where: short stacking energy: -38.898
Base-Backbone interact. energy: -0.057
local terms energy: -59.113588
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.418609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.418609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.418609 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -36.014
Base-Backbone interact. energy: -0.032
local terms energy: -59.372173
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -9.194
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -92.030946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.030946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.030946 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -34.615
Base-Backbone interact. energy: -0.065
local terms energy: -57.109775
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -79.449983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.449983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.449983 (E_RNA)
where:
Base-Base interactions energy: -2.975
where: short stacking energy: -2.975
Base-Backbone interact. energy: -0.000
local terms energy: -76.475258
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -159.680518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.680518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.680518 (E_RNA)
where:
Base-Base interactions energy: -85.414
where: short stacking energy: -58.587
Base-Backbone interact. energy: -0.026
local terms energy: -74.240712
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -13.739
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -122.115357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.115357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.115357 (E_RNA)
where:
Base-Base interactions energy: -68.167
where: short stacking energy: -42.206
Base-Backbone interact. energy: -0.194
local terms energy: -53.754125
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.706
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -124.026333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.026333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.026333 (E_RNA)
where:
Base-Base interactions energy: -58.143
where: short stacking energy: -43.950
Base-Backbone interact. energy: -0.290
local terms energy: -65.593396
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -128.564567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.564567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.564567 (E_RNA)
where:
Base-Base interactions energy: -66.735
where: short stacking energy: -46.219
Base-Backbone interact. energy: -0.263
local terms energy: -61.566512
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -100.879976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.879976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.879976 (E_RNA)
where:
Base-Base interactions energy: -45.274
where: short stacking energy: -29.353
Base-Backbone interact. energy: -0.198
local terms energy: -55.407981
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -95.534184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.534184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.534184 (E_RNA)
where:
Base-Base interactions energy: -42.694
where: short stacking energy: -32.714
Base-Backbone interact. energy: -1.233
local terms energy: -51.606320
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -8.456
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.788
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -103.176900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.176900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.176900 (E_RNA)
where:
Base-Base interactions energy: -40.346
where: short stacking energy: -34.979
Base-Backbone interact. energy: -0.094
local terms energy: -62.737233
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.862
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -86.746737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.746737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746737 (E_RNA)
where:
Base-Base interactions energy: -34.107
where: short stacking energy: -34.707
Base-Backbone interact. energy: 0.317
local terms energy: -52.956787
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -75.837159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.837159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.837159 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -30.326
Base-Backbone interact. energy: -0.338
local terms energy: -41.580031
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -80.992514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.992514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.992514 (E_RNA)
where:
Base-Base interactions energy: -33.699
where: short stacking energy: -33.977
Base-Backbone interact. energy: -0.481
local terms energy: -46.812495
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -6.179
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -154.913904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.913904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.913904 (E_RNA)
where:
Base-Base interactions energy: -83.491
where: short stacking energy: -54.018
Base-Backbone interact. energy: 0.407
local terms energy: -71.829965
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -136.487149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.487149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.487149 (E_RNA)
where:
Base-Base interactions energy: -72.497
where: short stacking energy: -52.886
Base-Backbone interact. energy: -0.519
local terms energy: -63.471347
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -9.150
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: 4
Temperature: 1.000000
Total energy: -132.056352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.056352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.056352 (E_RNA)
where:
Base-Base interactions energy: -69.061
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.180
local terms energy: -62.815773
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -122.576091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.576091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.576091 (E_RNA)
where:
Base-Base interactions energy: -60.341
where: short stacking energy: -46.311
Base-Backbone interact. energy: 0.709
local terms energy: -62.944753
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -133.285040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.285040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.285040 (E_RNA)
where:
Base-Base interactions energy: -65.375
where: short stacking energy: -50.724
Base-Backbone interact. energy: -0.118
local terms energy: -67.792828
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -105.799100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.799100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.799100 (E_RNA)
where:
Base-Base interactions energy: -51.879
where: short stacking energy: -29.651
Base-Backbone interact. energy: -0.191
local terms energy: -53.728935
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -104.233411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.233411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.233411 (E_RNA)
where:
Base-Base interactions energy: -46.579
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.756
local terms energy: -56.898638
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -83.714801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.714801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.714801 (E_RNA)
where:
Base-Base interactions energy: -33.666
where: short stacking energy: -26.520
Base-Backbone interact. energy: -0.571
local terms energy: -49.477141
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -83.916429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.916429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.916429 (E_RNA)
where:
Base-Base interactions energy: -33.458
where: short stacking energy: -30.205
Base-Backbone interact. energy: -0.073
local terms energy: -50.385617
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -78.681105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.681105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.681105 (E_RNA)
where:
Base-Base interactions energy: -34.890
where: short stacking energy: -34.890
Base-Backbone interact. energy: -0.127
local terms energy: -43.663599
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -157.696726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.696726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.696726 (E_RNA)
where:
Base-Base interactions energy: -85.901
where: short stacking energy: -55.979
Base-Backbone interact. energy: -0.136
local terms energy: -71.660679
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -13.182
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -145.966413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.966413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.966413 (E_RNA)
where:
Base-Base interactions energy: -74.803
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.257
local terms energy: -70.905623
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -146.792384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.792384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.792384 (E_RNA)
where:
Base-Base interactions energy: -80.920
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.052
local terms energy: -65.820093
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -13.234
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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -125.367034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.367034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.367034 (E_RNA)
where:
Base-Base interactions energy: -71.351
where: short stacking energy: -38.559
Base-Backbone interact. energy: -0.863
local terms energy: -53.152860
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -4.005
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: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -119.196095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.196095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.196095 (E_RNA)
where:
Base-Base interactions energy: -55.669
where: short stacking energy: -38.252
Base-Backbone interact. energy: 0.495
local terms energy: -64.021995
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -9.376
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -100.341223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.341223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.341223 (E_RNA)
where:
Base-Base interactions energy: -43.598
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.418
local terms energy: -56.324805
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -97.954909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.954909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.954909 (E_RNA)
where:
Base-Base interactions energy: -49.083
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.529
local terms energy: -48.343445
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -98.621707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.621707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.621707 (E_RNA)
where:
Base-Base interactions energy: -58.785
where: short stacking energy: -38.374
Base-Backbone interact. energy: -1.087
local terms energy: -38.749597
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -1.485
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -82.585374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.585374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.585374 (E_RNA)
where:
Base-Base interactions energy: -35.417
where: short stacking energy: -26.977
Base-Backbone interact. energy: 0.098
local terms energy: -47.266604
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -3.667
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: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -78.476179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.476179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.476179 (E_RNA)
where:
Base-Base interactions energy: -30.779
where: short stacking energy: -19.905
Base-Backbone interact. energy: 2.037
local terms energy: -49.733751
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: 4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -167.211179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.211179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.211179 (E_RNA)
where:
Base-Base interactions energy: -99.729
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.376
local terms energy: -67.106164
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -19.093
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: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -149.039378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.039378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.039378 (E_RNA)
where:
Base-Base interactions energy: -85.048
where: short stacking energy: -52.737
Base-Backbone interact. energy: -0.027
local terms energy: -63.963474
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -10.286
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: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -157.473159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.473159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.473159 (E_RNA)
where:
Base-Base interactions energy: -88.259
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.067
local terms energy: -69.147071
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -128.446867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.446867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.446867 (E_RNA)
where:
Base-Base interactions energy: -67.652
where: short stacking energy: -41.375
Base-Backbone interact. energy: -1.182
local terms energy: -59.613243
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -113.164558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.164558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.164558 (E_RNA)
where:
Base-Base interactions energy: -54.777
where: short stacking energy: -49.121
Base-Backbone interact. energy: 0.794
local terms energy: -59.182142
where:
bonds (distance) C4'-P energy: -5.851
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -104.510778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.510778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.510778 (E_RNA)
where:
Base-Base interactions energy: -43.260
where: short stacking energy: -30.838
Base-Backbone interact. energy: -0.091
local terms energy: -61.159692
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -7.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -84.017253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.017253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.017253 (E_RNA)
where:
Base-Base interactions energy: -32.881
where: short stacking energy: -18.777
Base-Backbone interact. energy: 0.798
local terms energy: -51.934659
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: 2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -90.033288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.033288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.033288 (E_RNA)
where:
Base-Base interactions energy: -42.145
where: short stacking energy: -33.230
Base-Backbone interact. energy: -0.186
local terms energy: -47.702511
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -8.582
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -82.040777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.040777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.040777 (E_RNA)
where:
Base-Base interactions energy: -34.730
where: short stacking energy: -26.692
Base-Backbone interact. energy: 1.228
local terms energy: -48.538187
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: 2.788
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: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -100.728149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.728149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.728149 (E_RNA)
where:
Base-Base interactions energy: -57.354
where: short stacking energy: -22.404
Base-Backbone interact. energy: -0.233
local terms energy: -43.141798
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -163.765348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.765348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.765348 (E_RNA)
where:
Base-Base interactions energy: -94.260
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.196
local terms energy: -69.309088
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -9.290
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: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -161.116714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.116714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.116714 (E_RNA)
where:
Base-Base interactions energy: -87.737
where: short stacking energy: -56.377
Base-Backbone interact. energy: 0.095
local terms energy: -73.474760
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -158.240549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.240549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.240549 (E_RNA)
where:
Base-Base interactions energy: -85.437
where: short stacking energy: -50.996
Base-Backbone interact. energy: -1.186
local terms energy: -71.617365
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -105.868470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.868470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.868470 (E_RNA)
where:
Base-Base interactions energy: -46.944
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.399
local terms energy: -58.525363
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -134.356925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.356925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.356925 (E_RNA)
where:
Base-Base interactions energy: -76.461
where: short stacking energy: -36.202
Base-Backbone interact. energy: -0.213
local terms energy: -57.683039
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -99.296158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.296158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.296158 (E_RNA)
where:
Base-Base interactions energy: -41.743
where: short stacking energy: -38.099
Base-Backbone interact. energy: -0.101
local terms energy: -57.451673
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -95.704580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.704580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.704580 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -37.976
Base-Backbone interact. energy: -0.116
local terms energy: -57.549077
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -2.283
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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -87.988528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.988528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.988528 (E_RNA)
where:
Base-Base interactions energy: -42.283
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.011
local terms energy: -45.694531
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -80.873167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.873167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.873167 (E_RNA)
where:
Base-Base interactions energy: -30.162
where: short stacking energy: -28.976
Base-Backbone interact. energy: -0.600
local terms energy: -50.111103
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -80.546815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546815 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -29.636
Base-Backbone interact. energy: -0.036
local terms energy: -47.793384
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -187.241535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.241535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.241535 (E_RNA)
where:
Base-Base interactions energy: -111.317
where: short stacking energy: -73.396
Base-Backbone interact. energy: -0.003
local terms energy: -75.921484
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -17.786
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: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -151.359937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.359937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.359937 (E_RNA)
where:
Base-Base interactions energy: -96.090
where: short stacking energy: -42.173
Base-Backbone interact. energy: 0.803
local terms energy: -56.072832
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -10.881
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: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -127.171259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.171259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.171259 (E_RNA)
where:
Base-Base interactions energy: -65.255
where: short stacking energy: -45.369
Base-Backbone interact. energy: -0.091
local terms energy: -61.825443
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -10.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -145.656907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.656907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.656907 (E_RNA)
where:
Base-Base interactions energy: -75.728
where: short stacking energy: -44.228
Base-Backbone interact. energy: -0.046
local terms energy: -69.883206
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -14.271
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: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -155.285138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.285138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.285138 (E_RNA)
where:
Base-Base interactions energy: -90.665
where: short stacking energy: -56.501
Base-Backbone interact. energy: -0.098
local terms energy: -64.522404
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -8.245
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -90.314226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.314226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.314226 (E_RNA)
where:
Base-Base interactions energy: -35.851
where: short stacking energy: -30.726
Base-Backbone interact. energy: -0.589
local terms energy: -53.874132
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -81.579630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.579630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.579630 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -28.934
Base-Backbone interact. energy: -0.149
local terms energy: -49.233813
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -5.324
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: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -91.955820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.955820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.955820 (E_RNA)
where:
Base-Base interactions energy: -44.783
where: short stacking energy: -43.183
Base-Backbone interact. energy: -0.124
local terms energy: -47.049331
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -1.704
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -89.247706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.247706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.247706 (E_RNA)
where:
Base-Base interactions energy: -38.400
where: short stacking energy: -35.757
Base-Backbone interact. energy: -0.364
local terms energy: -50.483500
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -4.835
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: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -81.987345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.987345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.987345 (E_RNA)
where:
Base-Base interactions energy: -27.798
where: short stacking energy: -25.263
Base-Backbone interact. energy: -0.562
local terms energy: -53.626996
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -2.266
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: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -184.177691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.177691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.177691 (E_RNA)
where:
Base-Base interactions energy: -101.810
where: short stacking energy: -67.024
Base-Backbone interact. energy: -0.612
local terms energy: -81.755820
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -18.551
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: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -157.346165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.346165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.346165 (E_RNA)
where:
Base-Base interactions energy: -96.289
where: short stacking energy: -54.566
Base-Backbone interact. energy: 0.375
local terms energy: -61.431816
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -123.192492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.192492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.192492 (E_RNA)
where:
Base-Base interactions energy: -61.072
where: short stacking energy: -37.996
Base-Backbone interact. energy: -0.205
local terms energy: -61.915186
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -165.942554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.942554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.942554 (E_RNA)
where:
Base-Base interactions energy: -91.947
where: short stacking energy: -40.439
Base-Backbone interact. energy: -0.094
local terms energy: -73.901694
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -11.332
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: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -109.534766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.534766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.534766 (E_RNA)
where:
Base-Base interactions energy: -43.424
where: short stacking energy: -37.817
Base-Backbone interact. energy: -0.195
local terms energy: -65.915356
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -91.968779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.968779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.968779 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -34.567
Base-Backbone interact. energy: -0.179
local terms energy: -57.222867
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -3.181
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: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -94.656175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.656175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.656175 (E_RNA)
where:
Base-Base interactions energy: -44.525
where: short stacking energy: -43.319
Base-Backbone interact. energy: -0.070
local terms energy: -50.060788
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -85.322253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.322253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.322253 (E_RNA)
where:
Base-Base interactions energy: -39.071
where: short stacking energy: -29.692
Base-Backbone interact. energy: -0.690
local terms energy: -45.560830
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -82.074521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.074521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.074521 (E_RNA)
where:
Base-Base interactions energy: -34.302
where: short stacking energy: -34.302
Base-Backbone interact. energy: 1.101
local terms energy: -48.874173
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -9.410
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -83.072376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.072376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.072376 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -26.081
Base-Backbone interact. energy: -0.703
local terms energy: -55.835999
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -179.261365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.261365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.261365 (E_RNA)
where:
Base-Base interactions energy: -104.199
where: short stacking energy: -59.636
Base-Backbone interact. energy: 0.530
local terms energy: -75.592264
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -151.296947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.296947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.296947 (E_RNA)
where:
Base-Base interactions energy: -88.680
where: short stacking energy: -49.254
Base-Backbone interact. energy: 0.840
local terms energy: -63.456543
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -153.124008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.124008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.124008 (E_RNA)
where:
Base-Base interactions energy: -90.672
where: short stacking energy: -52.546
Base-Backbone interact. energy: -0.114
local terms energy: -62.337863
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -12.423
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: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -116.473534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.473534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.473534 (E_RNA)
where:
Base-Base interactions energy: -48.594
where: short stacking energy: -48.594
Base-Backbone interact. energy: 1.181
local terms energy: -69.060557
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -11.407
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: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -95.866145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866145 (E_RNA)
where:
Base-Base interactions energy: -38.270
where: short stacking energy: -38.008
Base-Backbone interact. energy: -0.040
local terms energy: -57.556040
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -9.178
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: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -97.362718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.362718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.362718 (E_RNA)
where:
Base-Base interactions energy: -40.953
where: short stacking energy: -40.018
Base-Backbone interact. energy: -0.149
local terms energy: -56.260083
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -7.162
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -10.408
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: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -92.928240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.928240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.928240 (E_RNA)
where:
Base-Base interactions energy: -40.306
where: short stacking energy: -29.220
Base-Backbone interact. energy: -0.267
local terms energy: -52.355343
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -5.742
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: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -87.867823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.867823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.867823 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -27.843
Base-Backbone interact. energy: -0.211
local terms energy: -59.093891
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -10.645
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: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -81.868528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.868528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.868528 (E_RNA)
where:
Base-Base interactions energy: -31.052
where: short stacking energy: -28.167
Base-Backbone interact. energy: -0.323
local terms energy: -50.493623
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -82.341779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.341779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.341779 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -31.454
Base-Backbone interact. energy: -0.663
local terms energy: -49.464980
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -191.736016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.736016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.736016 (E_RNA)
where:
Base-Base interactions energy: -120.153
where: short stacking energy: -64.911
Base-Backbone interact. energy: -0.003
local terms energy: -71.580284
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -19.020
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: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -184.239481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.239481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.239481 (E_RNA)
where:
Base-Base interactions energy: -107.893
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.069
local terms energy: -76.278340
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -12.864
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -153.389049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.389049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.389049 (E_RNA)
where:
Base-Base interactions energy: -84.797
where: short stacking energy: -52.107
Base-Backbone interact. energy: -0.394
local terms energy: -68.198231
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.429
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: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -93.661846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.661846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.661846 (E_RNA)
where:
Base-Base interactions energy: -37.723
where: short stacking energy: -34.605
Base-Backbone interact. energy: -0.229
local terms energy: -55.710325
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -4.003
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: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -116.567364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.567364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.567364 (E_RNA)
where:
Base-Base interactions energy: -58.407
where: short stacking energy: -38.311
Base-Backbone interact. energy: -0.186
local terms energy: -57.974631
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -98.706965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.706965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.706965 (E_RNA)
where:
Base-Base interactions energy: -54.586
where: short stacking energy: -33.241
Base-Backbone interact. energy: 0.754
local terms energy: -44.875281
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -95.960645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.960645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.960645 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -33.367
Base-Backbone interact. energy: -0.039
local terms energy: -61.866301
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -9.600
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -82.980184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.980184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.980184 (E_RNA)
where:
Base-Base interactions energy: -36.973
where: short stacking energy: -29.540
Base-Backbone interact. energy: 0.499
local terms energy: -46.506414
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: 0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -89.959378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.959378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.959378 (E_RNA)
where:
Base-Base interactions energy: -38.572
where: short stacking energy: -11.486
Base-Backbone interact. energy: 0.394
local terms energy: -51.782202
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: 0.266
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: 11
Temperature: 1.350000
Total energy: -70.011653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.011653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.011653 (E_RNA)
where:
Base-Base interactions energy: -25.969
where: short stacking energy: -23.011
Base-Backbone interact. energy: -0.092
local terms energy: -43.951165
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -6.810
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: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -205.070781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.070781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.070781 (E_RNA)
where:
Base-Base interactions energy: -126.852
where: short stacking energy: -70.534
Base-Backbone interact. energy: -0.003
local terms energy: -78.216226
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -188.364197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.364197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.364197 (E_RNA)
where:
Base-Base interactions energy: -113.018
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.636
local terms energy: -74.710428
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -125.601190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.601190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.601190 (E_RNA)
where:
Base-Base interactions energy: -56.916
where: short stacking energy: -56.916
Base-Backbone interact. energy: -0.058
local terms energy: -68.627246
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -148.221484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.221484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.221484 (E_RNA)
where:
Base-Base interactions energy: -88.096
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.106
local terms energy: -60.019662
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -12.193
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: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -137.783049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.783049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.783049 (E_RNA)
where:
Base-Base interactions energy: -82.156
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.053
local terms energy: -55.574264
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -101.960612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.960612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.960612 (E_RNA)
where:
Base-Base interactions energy: -44.218
where: short stacking energy: -37.641
Base-Backbone interact. energy: 0.403
local terms energy: -58.145257
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -111.788968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.788968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.788968 (E_RNA)
where:
Base-Base interactions energy: -53.809
where: short stacking energy: -38.559
Base-Backbone interact. energy: -0.191
local terms energy: -57.789458
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -89.019650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.019650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.019650 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -33.231
Base-Backbone interact. energy: -0.036
local terms energy: -54.299196
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -73.244745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.244745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.244745 (E_RNA)
where:
Base-Base interactions energy: -22.679
where: short stacking energy: -22.679
Base-Backbone interact. energy: 0.287
local terms energy: -50.852947
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -6.420
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: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -89.934125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.934125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.934125 (E_RNA)
where:
Base-Base interactions energy: -39.103
where: short stacking energy: -31.693
Base-Backbone interact. energy: 0.361
local terms energy: -51.191331
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -209.464170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.464170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.464170 (E_RNA)
where:
Base-Base interactions energy: -127.040
where: short stacking energy: -71.115
Base-Backbone interact. energy: -0.002
local terms energy: -82.422413
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -19.944
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: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -190.656534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.656534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.656534 (E_RNA)
where:
Base-Base interactions energy: -116.724
where: short stacking energy: -65.214
Base-Backbone interact. energy: -0.014
local terms energy: -73.918516
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -15.716
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: 13
Temperature: 1.000000
Total energy: -119.151570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.151570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.151570 (E_RNA)
where:
Base-Base interactions energy: -55.365
where: short stacking energy: -51.422
Base-Backbone interact. energy: -0.257
local terms energy: -63.529444
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -186.125631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.125631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.125631 (E_RNA)
where:
Base-Base interactions energy: -121.333
where: short stacking energy: -48.772
Base-Backbone interact. energy: -0.256
local terms energy: -64.536494
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -12.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -128.410192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.410192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.410192 (E_RNA)
where:
Base-Base interactions energy: -67.505
where: short stacking energy: -33.236
Base-Backbone interact. energy: -0.291
local terms energy: -60.614756
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -98.969662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.969662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.969662 (E_RNA)
where:
Base-Base interactions energy: -35.120
where: short stacking energy: -33.644
Base-Backbone interact. energy: -0.022
local terms energy: -63.828053
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -105.978085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.978085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.978085 (E_RNA)
where:
Base-Base interactions energy: -54.107
where: short stacking energy: -47.737
Base-Backbone interact. energy: -0.009
local terms energy: -51.862792
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -88.301251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.301251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.301251 (E_RNA)
where:
Base-Base interactions energy: -42.518
where: short stacking energy: -41.950
Base-Backbone interact. energy: -0.008
local terms energy: -45.775194
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -87.033800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.033800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.033800 (E_RNA)
where:
Base-Base interactions energy: -41.087
where: short stacking energy: -31.750
Base-Backbone interact. energy: 0.524
local terms energy: -46.470431
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -82.653597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.653597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.653597 (E_RNA)
where:
Base-Base interactions energy: -35.479
where: short stacking energy: -30.007
Base-Backbone interact. energy: -0.275
local terms energy: -46.900360
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: 0.797
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: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -190.616790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.616790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.616790 (E_RNA)
where:
Base-Base interactions energy: -127.141
where: short stacking energy: -66.129
Base-Backbone interact. energy: -0.053
local terms energy: -63.422254
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -13.708
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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -185.035515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.035515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.035515 (E_RNA)
where:
Base-Base interactions energy: -111.852
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.034
local terms energy: -73.150238
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -184.860392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.860392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.860392 (E_RNA)
where:
Base-Base interactions energy: -111.309
where: short stacking energy: -62.414
Base-Backbone interact. energy: -0.864
local terms energy: -72.687496
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -14.578
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: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -105.190245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.190245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.190245 (E_RNA)
where:
Base-Base interactions energy: -51.677
where: short stacking energy: -27.602
Base-Backbone interact. energy: -0.360
local terms energy: -53.153851
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -104.217154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.217154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.217154 (E_RNA)
where:
Base-Base interactions energy: -39.837
where: short stacking energy: -39.837
Base-Backbone interact. energy: -0.000
local terms energy: -64.379902
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -102.595885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.595885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.595885 (E_RNA)
where:
Base-Base interactions energy: -44.345
where: short stacking energy: -44.345
Base-Backbone interact. energy: -0.084
local terms energy: -58.166905
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.757
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: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -88.932477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.932477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.932477 (E_RNA)
where:
Base-Base interactions energy: -33.225
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.228
local terms energy: -55.479441
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -76.980196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.980196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.980196 (E_RNA)
where:
Base-Base interactions energy: -29.711
where: short stacking energy: -24.294
Base-Backbone interact. energy: -0.243
local terms energy: -47.026567
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -87.682849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.682849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.682849 (E_RNA)
where:
Base-Base interactions energy: -28.110
where: short stacking energy: -28.110
Base-Backbone interact. energy: -0.118
local terms energy: -59.454934
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -87.542569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.542569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.542569 (E_RNA)
where:
Base-Base interactions energy: -35.395
where: short stacking energy: -34.780
Base-Backbone interact. energy: -0.087
local terms energy: -52.060219
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -3.419
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: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -195.133959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.133959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.133959 (E_RNA)
where:
Base-Base interactions energy: -119.130
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.157
local terms energy: -75.847053
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -201.501118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.501118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.501118 (E_RNA)
where:
Base-Base interactions energy: -131.046
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.237
local terms energy: -70.217755
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -185.607521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.607521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.607521 (E_RNA)
where:
Base-Base interactions energy: -111.163
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.843
local terms energy: -73.602433
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -12.939
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: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -133.252368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.252368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.252368 (E_RNA)
where:
Base-Base interactions energy: -73.013
where: short stacking energy: -48.415
Base-Backbone interact. energy: -0.132
local terms energy: -60.107215
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -96.496882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.496882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.496882 (E_RNA)
where:
Base-Base interactions energy: -42.033
where: short stacking energy: -24.864
Base-Backbone interact. energy: -0.124
local terms energy: -54.339730
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -1.923
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: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -105.839539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.839539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.839539 (E_RNA)
where:
Base-Base interactions energy: -57.937
where: short stacking energy: -35.504
Base-Backbone interact. energy: -0.401
local terms energy: -47.501454
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -103.232381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.232381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.232381 (E_RNA)
where:
Base-Base interactions energy: -41.938
where: short stacking energy: -41.938
Base-Backbone interact. energy: -0.131
local terms energy: -61.163617
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -8.368
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -86.672603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.672603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.672603 (E_RNA)
where:
Base-Base interactions energy: -30.994
where: short stacking energy: -30.994
Base-Backbone interact. energy: -0.154
local terms energy: -55.525284
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -88.231371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.231371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.231371 (E_RNA)
where:
Base-Base interactions energy: -39.654
where: short stacking energy: -29.914
Base-Backbone interact. energy: -0.087
local terms energy: -48.491061
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -8.539
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: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -81.271902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.271902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.271902 (E_RNA)
where:
Base-Base interactions energy: -23.995
where: short stacking energy: -23.995
Base-Backbone interact. energy: -0.131
local terms energy: -57.145711
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: 1.581
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: 16
Temperature: 0.900000
Total energy: -204.345120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.345120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.345120 (E_RNA)
where:
Base-Base interactions energy: -130.668
where: short stacking energy: -61.326
Base-Backbone interact. energy: -0.142
local terms energy: -73.535203
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -196.482132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.482132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.482132 (E_RNA)
where:
Base-Base interactions energy: -113.431
where: short stacking energy: -72.713
Base-Backbone interact. energy: -1.135
local terms energy: -81.915998
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -192.988795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.988795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.988795 (E_RNA)
where:
Base-Base interactions energy: -118.100
where: short stacking energy: -70.971
Base-Backbone interact. energy: -0.936
local terms energy: -73.952869
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -12.019
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: 16
Temperature: 1.050000
Total energy: -107.160494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.160494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.160494 (E_RNA)
where:
Base-Base interactions energy: -46.608
where: short stacking energy: -46.535
Base-Backbone interact. energy: -0.009
local terms energy: -60.542865
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -111.399513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.399513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.399513 (E_RNA)
where:
Base-Base interactions energy: -56.168
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.171
local terms energy: -55.060499
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -10.093
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: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -101.424425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.424425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.424425 (E_RNA)
where:
Base-Base interactions energy: -44.990
where: short stacking energy: -44.990
Base-Backbone interact. energy: -1.169
local terms energy: -55.265162
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -87.202073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.202073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.202073 (E_RNA)
where:
Base-Base interactions energy: -35.956
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.019
local terms energy: -51.227127
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -77.534594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.534594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.534594 (E_RNA)
where:
Base-Base interactions energy: -23.419
where: short stacking energy: -23.491
Base-Backbone interact. energy: -0.034
local terms energy: -54.081685
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -81.991158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.991158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.991158 (E_RNA)
where:
Base-Base interactions energy: -29.855
where: short stacking energy: -28.169
Base-Backbone interact. energy: -0.871
local terms energy: -51.265974
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -9.265
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: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -74.198836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.198836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.198836 (E_RNA)
where:
Base-Base interactions energy: -30.444
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.097
local terms energy: -43.657771
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -3.892
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -5.125
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: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -209.040564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.040564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.040564 (E_RNA)
where:
Base-Base interactions energy: -125.298
where: short stacking energy: -75.044
Base-Backbone interact. energy: 0.109
local terms energy: -83.851686
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -11.570
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: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -194.060106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.060106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.060106 (E_RNA)
where:
Base-Base interactions energy: -113.073
where: short stacking energy: -68.248
Base-Backbone interact. energy: -0.069
local terms energy: -80.918573
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -188.075421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.075421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.075421 (E_RNA)
where:
Base-Base interactions energy: -114.098
where: short stacking energy: -61.538
Base-Backbone interact. energy: -0.009
local terms energy: -73.967828
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -115.568533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.568533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.568533 (E_RNA)
where:
Base-Base interactions energy: -57.201
where: short stacking energy: -26.225
Base-Backbone interact. energy: 0.268
local terms energy: -58.635624
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -110.845687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.845687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.845687 (E_RNA)
where:
Base-Base interactions energy: -47.734
where: short stacking energy: -41.403
Base-Backbone interact. energy: -0.065
local terms energy: -63.046926
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -10.265
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: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -93.599094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.599094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.599094 (E_RNA)
where:
Base-Base interactions energy: -33.198
where: short stacking energy: -33.198
Base-Backbone interact. energy: -0.210
local terms energy: -60.191144
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -88.243631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.243631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.243631 (E_RNA)
where:
Base-Base interactions energy: -37.063
where: short stacking energy: -33.352
Base-Backbone interact. energy: 0.179
local terms energy: -51.359603
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -85.656011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.656011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.656011 (E_RNA)
where:
Base-Base interactions energy: -34.966
where: short stacking energy: -35.202
Base-Backbone interact. energy: -0.776
local terms energy: -49.913775
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -79.985900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985900 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -28.972
Base-Backbone interact. energy: -0.176
local terms energy: -51.037863
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -92.792985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.792985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.792985 (E_RNA)
where:
Base-Base interactions energy: -31.831
where: short stacking energy: -29.120
Base-Backbone interact. energy: -0.036
local terms energy: -60.925713
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -185.770227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.770227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.770227 (E_RNA)
where:
Base-Base interactions energy: -109.172
where: short stacking energy: -61.178
Base-Backbone interact. energy: -1.053
local terms energy: -75.544372
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -204.665278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.665278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.665278 (E_RNA)
where:
Base-Base interactions energy: -129.687
where: short stacking energy: -64.992
Base-Backbone interact. energy: -0.317
local terms energy: -74.661449
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -12.457
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: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -172.273362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.273362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.273362 (E_RNA)
where:
Base-Base interactions energy: -108.075
where: short stacking energy: -56.732
Base-Backbone interact. energy: -0.636
local terms energy: -63.562794
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -124.224654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.224654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.224654 (E_RNA)
where:
Base-Base interactions energy: -63.503
where: short stacking energy: -43.545
Base-Backbone interact. energy: -0.246
local terms energy: -60.475659
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -97.884895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.884895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.884895 (E_RNA)
where:
Base-Base interactions energy: -45.072
where: short stacking energy: -31.431
Base-Backbone interact. energy: -0.310
local terms energy: -52.502749
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -2.110
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: 18
Temperature: 1.150000
Total energy: -94.423348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.423348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.423348 (E_RNA)
where:
Base-Base interactions energy: -45.065
where: short stacking energy: -37.537
Base-Backbone interact. energy: 0.601
local terms energy: -49.959914
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -8.676
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: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -89.244878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.244878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.244878 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.027
local terms energy: -48.326391
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -91.929530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.929530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.929530 (E_RNA)
where:
Base-Base interactions energy: -37.033
where: short stacking energy: -37.799
Base-Backbone interact. energy: -0.295
local terms energy: -54.601141
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -4.829
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: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -81.871604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.871604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.871604 (E_RNA)
where:
Base-Base interactions energy: -33.746
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.400
local terms energy: -47.726062
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.600
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: 10, replica: 3
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -76.551569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.551569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.551569 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -30.191
Base-Backbone interact. energy: -0.092
local terms energy: -46.268439
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -195.733384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.733384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.733384 (E_RNA)
where:
Base-Base interactions energy: -122.699
where: short stacking energy: -62.707
Base-Backbone interact. energy: -0.053
local terms energy: -72.982256
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -189.365483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.365483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.365483 (E_RNA)
where:
Base-Base interactions energy: -109.850
where: short stacking energy: -61.447
Base-Backbone interact. energy: -0.006
local terms energy: -79.509683
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -174.510190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.510190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.510190 (E_RNA)
where:
Base-Base interactions energy: -108.059
where: short stacking energy: -51.667
Base-Backbone interact. energy: -0.307
local terms energy: -66.144332
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -129.834994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.834994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.834994 (E_RNA)
where:
Base-Base interactions energy: -69.858
where: short stacking energy: -50.844
Base-Backbone interact. energy: -0.164
local terms energy: -59.812481
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -105.444725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.444725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.444725 (E_RNA)
where:
Base-Base interactions energy: -48.397
where: short stacking energy: -48.356
Base-Backbone interact. energy: -0.104
local terms energy: -56.943903
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -10.065
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: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -120.777059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.777059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.777059 (E_RNA)
where:
Base-Base interactions energy: -62.298
where: short stacking energy: -38.291
Base-Backbone interact. energy: -0.098
local terms energy: -58.381324
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -93.137972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.137972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.137972 (E_RNA)
where:
Base-Base interactions energy: -32.978
where: short stacking energy: -32.978
Base-Backbone interact. energy: 1.779
local terms energy: -61.939412
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -96.485693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.485693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.485693 (E_RNA)
where:
Base-Base interactions energy: -46.939
where: short stacking energy: -46.939
Base-Backbone interact. energy: -0.032
local terms energy: -49.514667
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -81.948907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.948907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.948907 (E_RNA)
where:
Base-Base interactions energy: -34.719
where: short stacking energy: -30.139
Base-Backbone interact. energy: 0.370
local terms energy: -47.599693
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -8.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -76.650024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.650024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.650024 (E_RNA)
where:
Base-Base interactions energy: -29.549
where: short stacking energy: -29.409
Base-Backbone interact. energy: -0.008
local terms energy: -47.092666
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -194.802494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.802494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.802494 (E_RNA)
where:
Base-Base interactions energy: -119.928
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.012
local terms energy: -74.861612
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -14.765
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: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -195.738495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.738495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.738495 (E_RNA)
where:
Base-Base interactions energy: -117.488
where: short stacking energy: -68.124
Base-Backbone interact. energy: -0.069
local terms energy: -78.181893
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -174.247003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.247003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.247003 (E_RNA)
where:
Base-Base interactions energy: -108.749
where: short stacking energy: -57.982
Base-Backbone interact. energy: 0.165
local terms energy: -65.662725
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -11.421
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: 8
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -126.797889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.797889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.797889 (E_RNA)
where:
Base-Base interactions energy: -65.265
where: short stacking energy: -52.790
Base-Backbone interact. energy: -0.111
local terms energy: -61.421630
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -8.289
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -150.411532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.411532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.411532 (E_RNA)
where:
Base-Base interactions energy: -86.977
where: short stacking energy: -55.488
Base-Backbone interact. energy: -0.021
local terms energy: -63.413480
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -13.628
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: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -104.620891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.620891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.620891 (E_RNA)
where:
Base-Base interactions energy: -47.081
where: short stacking energy: -42.487
Base-Backbone interact. energy: -0.006
local terms energy: -57.533751
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -7.883
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: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -95.717377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.717377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.717377 (E_RNA)
where:
Base-Base interactions energy: -38.135
where: short stacking energy: -37.551
Base-Backbone interact. energy: 0.457
local terms energy: -58.039020
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -89.090396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.090396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.090396 (E_RNA)
where:
Base-Base interactions energy: -31.222
where: short stacking energy: -27.616
Base-Backbone interact. energy: 1.192
local terms energy: -59.060739
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -75.103736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.103736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.103736 (E_RNA)
where:
Base-Base interactions energy: -28.362
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.093
local terms energy: -46.648753
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -70.391520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.391520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.391520 (E_RNA)
where:
Base-Base interactions energy: -28.417
where: short stacking energy: -26.798
Base-Backbone interact. energy: 0.314
local terms energy: -42.289110
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -5.001
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -191.352955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.352955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.352955 (E_RNA)
where:
Base-Base interactions energy: -114.328
where: short stacking energy: -69.604
Base-Backbone interact. energy: -0.013
local terms energy: -77.012367
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -200.039401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.039401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.039401 (E_RNA)
where:
Base-Base interactions energy: -121.190
where: short stacking energy: -68.004
Base-Backbone interact. energy: -0.533
local terms energy: -78.316261
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -176.917126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.917126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.917126 (E_RNA)
where:
Base-Base interactions energy: -100.281
where: short stacking energy: -62.970
Base-Backbone interact. energy: -2.597
local terms energy: -74.039491
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -152.589404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.589404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.589404 (E_RNA)
where:
Base-Base interactions energy: -91.647
where: short stacking energy: -52.130
Base-Backbone interact. energy: -0.760
local terms energy: -60.182329
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -139.426853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.426853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.426853 (E_RNA)
where:
Base-Base interactions energy: -76.695
where: short stacking energy: -48.550
Base-Backbone interact. energy: -0.075
local terms energy: -62.656939
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -9.570
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: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -92.577139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.577139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.577139 (E_RNA)
where:
Base-Base interactions energy: -39.744
where: short stacking energy: -35.706
Base-Backbone interact. energy: 1.079
local terms energy: -53.911546
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -104.278364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.278364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.278364 (E_RNA)
where:
Base-Base interactions energy: -50.219
where: short stacking energy: -22.835
Base-Backbone interact. energy: -0.573
local terms energy: -53.486848
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -112.819664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.819664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.819664 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -45.180
Base-Backbone interact. energy: -0.004
local terms energy: -67.636310
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.041
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: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -106.049046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.049046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.049046 (E_RNA)
where:
Base-Base interactions energy: -47.345
where: short stacking energy: -44.132
Base-Backbone interact. energy: -0.341
local terms energy: -58.363643
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -79.939066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.939066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.939066 (E_RNA)
where:
Base-Base interactions energy: -30.887
where: short stacking energy: -28.926
Base-Backbone interact. energy: -0.246
local terms energy: -48.806226
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: 0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -202.377835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.377835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.377835 (E_RNA)
where:
Base-Base interactions energy: -123.820
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.233
local terms energy: -78.324689
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -209.319587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.319587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.319587 (E_RNA)
where:
Base-Base interactions energy: -140.363
where: short stacking energy: -68.189
Base-Backbone interact. energy: -0.011
local terms energy: -68.945690
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -17.934
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: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -172.270689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.270689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.270689 (E_RNA)
where:
Base-Base interactions energy: -106.089
where: short stacking energy: -55.548
Base-Backbone interact. energy: -0.042
local terms energy: -66.139367
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -14.114
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: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -152.598121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.598121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.598121 (E_RNA)
where:
Base-Base interactions energy: -86.414
where: short stacking energy: -48.500
Base-Backbone interact. energy: -0.006
local terms energy: -66.178467
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -109.396017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.396017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.396017 (E_RNA)
where:
Base-Base interactions energy: -39.818
where: short stacking energy: -39.818
Base-Backbone interact. energy: -0.088
local terms energy: -69.490097
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -103.662262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.662262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.662262 (E_RNA)
where:
Base-Base interactions energy: -42.074
where: short stacking energy: -39.877
Base-Backbone interact. energy: -0.020
local terms energy: -61.567898
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -92.453739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.453739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.453739 (E_RNA)
where:
Base-Base interactions energy: -40.754
where: short stacking energy: -33.177
Base-Backbone interact. energy: 0.352
local terms energy: -52.051284
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -9.205
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: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -93.017323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.017323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.017323 (E_RNA)
where:
Base-Base interactions energy: -38.240
where: short stacking energy: -38.240
Base-Backbone interact. energy: -0.112
local terms energy: -54.664714
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -8.385
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: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -82.568237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.568237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.568237 (E_RNA)
where:
Base-Base interactions energy: -28.437
where: short stacking energy: -19.875
Base-Backbone interact. energy: 0.306
local terms energy: -54.437303
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -79.103175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.103175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.103175 (E_RNA)
where:
Base-Base interactions energy: -28.344
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.703
local terms energy: -50.056226
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -195.618490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.618490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.618490 (E_RNA)
where:
Base-Base interactions energy: -125.406
where: short stacking energy: -73.565
Base-Backbone interact. energy: -0.667
local terms energy: -69.545926
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -208.039238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.039238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.039238 (E_RNA)
where:
Base-Base interactions energy: -130.380
where: short stacking energy: -62.105
Base-Backbone interact. energy: -0.046
local terms energy: -77.612898
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -162.014137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.014137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.014137 (E_RNA)
where:
Base-Base interactions energy: -86.939
where: short stacking energy: -50.601
Base-Backbone interact. energy: -0.122
local terms energy: -74.953178
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -165.365923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.365923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.365923 (E_RNA)
where:
Base-Base interactions energy: -99.317
where: short stacking energy: -55.470
Base-Backbone interact. energy: -1.172
local terms energy: -64.877081
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -127.950033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.950033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.950033 (E_RNA)
where:
Base-Base interactions energy: -69.765
where: short stacking energy: -55.232
Base-Backbone interact. energy: -1.071
local terms energy: -57.113898
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -103.092990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.092990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.092990 (E_RNA)
where:
Base-Base interactions energy: -39.271
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.083
local terms energy: -63.738962
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -94.252287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.252287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.252287 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -32.941
Base-Backbone interact. energy: -0.265
local terms energy: -60.017490
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -9.794
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: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -82.170313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.170313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.170313 (E_RNA)
where:
Base-Base interactions energy: -29.066
where: short stacking energy: -26.029
Base-Backbone interact. energy: -0.656
local terms energy: -52.448127
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: 2.809
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: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -75.554587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.554587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.554587 (E_RNA)
where:
Base-Base interactions energy: -25.156
where: short stacking energy: -25.156
Base-Backbone interact. energy: -0.217
local terms energy: -50.181755
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -78.251347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.251347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.251347 (E_RNA)
where:
Base-Base interactions energy: -26.215
where: short stacking energy: -17.132
Base-Backbone interact. energy: -1.813
local terms energy: -50.223553
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -0.975
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: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -213.777652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.777652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.777652 (E_RNA)
where:
Base-Base interactions energy: -131.154
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.052
local terms energy: -82.571510
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -21.284
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: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -188.062369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.062369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.062369 (E_RNA)
where:
Base-Base interactions energy: -115.049
where: short stacking energy: -62.386
Base-Backbone interact. energy: 0.639
local terms energy: -73.652423
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -170.870642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.870642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.870642 (E_RNA)
where:
Base-Base interactions energy: -98.595
where: short stacking energy: -54.045
Base-Backbone interact. energy: 0.611
local terms energy: -72.886960
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -16.482
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: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -161.885814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.885814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.885814 (E_RNA)
where:
Base-Base interactions energy: -93.949
where: short stacking energy: -55.554
Base-Backbone interact. energy: -0.123
local terms energy: -67.814404
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -11.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -108.370150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.370150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.370150 (E_RNA)
where:
Base-Base interactions energy: -45.875
where: short stacking energy: -42.281
Base-Backbone interact. energy: 0.339
local terms energy: -62.833758
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -9.038
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: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -104.706638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.706638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.706638 (E_RNA)
where:
Base-Base interactions energy: -57.953
where: short stacking energy: -38.017
Base-Backbone interact. energy: -0.265
local terms energy: -46.488875
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -127.937305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.937305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.937305 (E_RNA)
where:
Base-Base interactions energy: -73.024
where: short stacking energy: -29.215
Base-Backbone interact. energy: -0.469
local terms energy: -54.444461
where:
bonds (distance) C4'-P energy: -6.703
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -5.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -101.925756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.925756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.925756 (E_RNA)
where:
Base-Base interactions energy: -51.707
where: short stacking energy: -31.793
Base-Backbone interact. energy: -0.222
local terms energy: -49.997438
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -9.007
flat angles P-C4'-P energy: -8.477
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: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -99.955168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.955168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.955168 (E_RNA)
where:
Base-Base interactions energy: -41.137
where: short stacking energy: -40.329
Base-Backbone interact. energy: -0.124
local terms energy: -58.694088
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -78.899262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.899262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.899262 (E_RNA)
where:
Base-Base interactions energy: -23.266
where: short stacking energy: -23.017
Base-Backbone interact. energy: -0.177
local terms energy: -55.455802
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -211.221357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.221357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.221357 (E_RNA)
where:
Base-Base interactions energy: -136.261
where: short stacking energy: -72.967
Base-Backbone interact. energy: -0.224
local terms energy: -74.736231
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -191.253590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.253590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.253590 (E_RNA)
where:
Base-Base interactions energy: -114.608
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.001
local terms energy: -76.644276
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -9.700
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: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -180.066674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.066674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.066674 (E_RNA)
where:
Base-Base interactions energy: -110.623
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.033
local terms energy: -69.410350
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -160.927506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.927506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.927506 (E_RNA)
where:
Base-Base interactions energy: -97.474
where: short stacking energy: -56.473
Base-Backbone interact. energy: -0.037
local terms energy: -63.415979
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -11.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -111.051921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.051921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.051921 (E_RNA)
where:
Base-Base interactions energy: -53.634
where: short stacking energy: -42.856
Base-Backbone interact. energy: 0.825
local terms energy: -58.243561
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -2.193
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: 25
Temperature: 1.150000
Total energy: -150.101924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.101924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.101924 (E_RNA)
where:
Base-Base interactions energy: -86.640
where: short stacking energy: -42.443
Base-Backbone interact. energy: -0.038
local terms energy: -63.423123
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -106.719299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.719299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.719299 (E_RNA)
where:
Base-Base interactions energy: -43.168
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.602
local terms energy: -62.949750
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -13.419
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: 25
Temperature: 1.250000
Total energy: -98.671540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.671540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.671540 (E_RNA)
where:
Base-Base interactions energy: -38.108
where: short stacking energy: -36.470
Base-Backbone interact. energy: -0.192
local terms energy: -60.371899
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -7.103
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: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -96.637262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.637262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.637262 (E_RNA)
where:
Base-Base interactions energy: -41.855
where: short stacking energy: -35.041
Base-Backbone interact. energy: -0.255
local terms energy: -54.526372
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -6.091
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: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -89.193466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.193466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.193466 (E_RNA)
where:
Base-Base interactions energy: -34.841
where: short stacking energy: -34.841
Base-Backbone interact. energy: -0.078
local terms energy: -54.274753
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -208.808805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.808805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.808805 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -65.024
Base-Backbone interact. energy: -0.057
local terms energy: -72.900845
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -179.137358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.137358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.137358 (E_RNA)
where:
Base-Base interactions energy: -110.318
where: short stacking energy: -54.525
Base-Backbone interact. energy: -0.735
local terms energy: -68.084348
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -173.758899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.758899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.758899 (E_RNA)
where:
Base-Base interactions energy: -105.978
where: short stacking energy: -61.700
Base-Backbone interact. energy: -0.745
local terms energy: -67.036376
where:
bonds (distance) C4'-P energy: -6.418
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -12.653
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: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -165.264183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.264183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.264183 (E_RNA)
where:
Base-Base interactions energy: -101.511
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.100
local terms energy: -63.654040
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -173.902291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.902291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.902291 (E_RNA)
where:
Base-Base interactions energy: -109.380
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.035
local terms energy: -64.487574
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -102.753509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.753509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.753509 (E_RNA)
where:
Base-Base interactions energy: -43.571
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.378
local terms energy: -58.805378
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -109.336946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.336946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.336946 (E_RNA)
where:
Base-Base interactions energy: -58.514
where: short stacking energy: -33.351
Base-Backbone interact. energy: -0.089
local terms energy: -50.734049
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -101.097154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.097154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.097154 (E_RNA)
where:
Base-Base interactions energy: -54.051
where: short stacking energy: -24.729
Base-Backbone interact. energy: -1.491
local terms energy: -45.554937
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -2.449
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: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -75.406291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.406291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.406291 (E_RNA)
where:
Base-Base interactions energy: -25.850
where: short stacking energy: -25.247
Base-Backbone interact. energy: -0.234
local terms energy: -49.322441
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: 2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -79.284399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.284399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.284399 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -24.331
Base-Backbone interact. energy: -0.267
local terms energy: -46.078247
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -8.187
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: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -212.952203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.952203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.952203 (E_RNA)
where:
Base-Base interactions energy: -140.010
where: short stacking energy: -68.945
Base-Backbone interact. energy: -0.030
local terms energy: -72.912422
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -10.435
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: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -174.644368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.644368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.644368 (E_RNA)
where:
Base-Base interactions energy: -104.012
where: short stacking energy: -50.855
Base-Backbone interact. energy: -0.964
local terms energy: -69.668668
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -176.938491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.938491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.938491 (E_RNA)
where:
Base-Base interactions energy: -106.664
where: short stacking energy: -55.609
Base-Backbone interact. energy: -0.044
local terms energy: -70.230198
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -16.370
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: 27
Temperature: 1.050000
Total energy: -152.407193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.407193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.407193 (E_RNA)
where:
Base-Base interactions energy: -89.311
where: short stacking energy: -46.234
Base-Backbone interact. energy: -0.886
local terms energy: -62.210639
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -179.345258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.345258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.345258 (E_RNA)
where:
Base-Base interactions energy: -112.304
where: short stacking energy: -57.404
Base-Backbone interact. energy: -0.629
local terms energy: -66.412059
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -94.800370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.800370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.800370 (E_RNA)
where:
Base-Base interactions energy: -38.667
where: short stacking energy: -34.681
Base-Backbone interact. energy: -0.173
local terms energy: -55.960952
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -92.968881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.968881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.968881 (E_RNA)
where:
Base-Base interactions energy: -51.533
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.347
local terms energy: -41.089185
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -6.877
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -85.947992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.947992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.947992 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.041
local terms energy: -46.096603
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -91.649987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.649987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.649987 (E_RNA)
where:
Base-Base interactions energy: -50.498
where: short stacking energy: -21.392
Base-Backbone interact. energy: -0.465
local terms energy: -40.687195
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: 5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -79.889762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.889762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.889762 (E_RNA)
where:
Base-Base interactions energy: -34.871
where: short stacking energy: -34.124
Base-Backbone interact. energy: 0.406
local terms energy: -45.424974
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -205.763016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.763016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.763016 (E_RNA)
where:
Base-Base interactions energy: -139.320
where: short stacking energy: -61.380
Base-Backbone interact. energy: -0.144
local terms energy: -66.299081
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.733
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: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -199.346612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.346612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.346612 (E_RNA)
where:
Base-Base interactions energy: -134.346
where: short stacking energy: -59.351
Base-Backbone interact. energy: -0.168
local terms energy: -64.831804
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -10.692
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: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -165.396509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.396509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.396509 (E_RNA)
where:
Base-Base interactions energy: -106.929
where: short stacking energy: -51.955
Base-Backbone interact. energy: -0.042
local terms energy: -58.425295
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -10.286
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -154.192179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.192179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.192179 (E_RNA)
where:
Base-Base interactions energy: -91.886
where: short stacking energy: -47.384
Base-Backbone interact. energy: -0.210
local terms energy: -62.095891
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -171.417144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.417144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.417144 (E_RNA)
where:
Base-Base interactions energy: -106.717
where: short stacking energy: -51.553
Base-Backbone interact. energy: -0.395
local terms energy: -64.304895
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -102.836785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.836785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.836785 (E_RNA)
where:
Base-Base interactions energy: -44.453
where: short stacking energy: -33.917
Base-Backbone interact. energy: -0.120
local terms energy: -58.264653
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -7.287
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: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -95.311941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.311941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.311941 (E_RNA)
where:
Base-Base interactions energy: -46.860
where: short stacking energy: -41.680
Base-Backbone interact. energy: -0.378
local terms energy: -48.074304
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -9.399
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -88.997981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.997981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.997981 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -29.672
Base-Backbone interact. energy: -0.168
local terms energy: -54.151203
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -1.942
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: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -79.681155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.681155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.681155 (E_RNA)
where:
Base-Base interactions energy: -23.292
where: short stacking energy: -23.379
Base-Backbone interact. energy: -1.021
local terms energy: -55.367801
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -2.469
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: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -77.648588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.648588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.648588 (E_RNA)
where:
Base-Base interactions energy: -26.413
where: short stacking energy: -19.130
Base-Backbone interact. energy: -0.009
local terms energy: -51.226668
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: 0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -209.894097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.894097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.894097 (E_RNA)
where:
Base-Base interactions energy: -133.178
where: short stacking energy: -65.791
Base-Backbone interact. energy: -0.124
local terms energy: -76.591629
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -200.737148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.737148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.737148 (E_RNA)
where:
Base-Base interactions energy: -126.457
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.136
local terms energy: -74.144522
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -12.767
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: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -186.634908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.634908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.634908 (E_RNA)
where:
Base-Base interactions energy: -114.577
where: short stacking energy: -58.157
Base-Backbone interact. energy: -0.016
local terms energy: -72.041595
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -148.671466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.671466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.671466 (E_RNA)
where:
Base-Base interactions energy: -91.019
where: short stacking energy: -49.798
Base-Backbone interact. energy: -0.084
local terms energy: -57.568317
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -11.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -173.847100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.847100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.847100 (E_RNA)
where:
Base-Base interactions energy: -104.839
where: short stacking energy: -49.722
Base-Backbone interact. energy: -0.825
local terms energy: -68.183317
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -127.391846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.391846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.391846 (E_RNA)
where:
Base-Base interactions energy: -66.002
where: short stacking energy: -37.591
Base-Backbone interact. energy: -0.024
local terms energy: -61.365365
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -10.151
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: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -91.258590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.258590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.258590 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -19.204
Base-Backbone interact. energy: -0.251
local terms energy: -54.353449
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: 0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -83.089621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.089621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.089621 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -21.324
Base-Backbone interact. energy: -0.076
local terms energy: -46.851168
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: 2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -83.556898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.556898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.556898 (E_RNA)
where:
Base-Base interactions energy: -32.786
where: short stacking energy: -27.982
Base-Backbone interact. energy: -0.863
local terms energy: -49.907948
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -74.862777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.862777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.862777 (E_RNA)
where:
Base-Base interactions energy: -27.819
where: short stacking energy: -24.937
Base-Backbone interact. energy: 0.585
local terms energy: -47.628903
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: 1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -217.107089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.107089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.107089 (E_RNA)
where:
Base-Base interactions energy: -140.742
where: short stacking energy: -65.516
Base-Backbone interact. energy: -0.143
local terms energy: -76.222645
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -198.731117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.731117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.731117 (E_RNA)
where:
Base-Base interactions energy: -124.053
where: short stacking energy: -59.484
Base-Backbone interact. energy: -2.310
local terms energy: -72.368205
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -161.830178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.830178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.830178 (E_RNA)
where:
Base-Base interactions energy: -98.844
where: short stacking energy: -50.706
Base-Backbone interact. energy: -0.394
local terms energy: -62.592852
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -170.324965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.324965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.324965 (E_RNA)
where:
Base-Base interactions energy: -98.030
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.013
local terms energy: -72.282641
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -158.246111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.246111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.246111 (E_RNA)
where:
Base-Base interactions energy: -92.594
where: short stacking energy: -53.120
Base-Backbone interact. energy: -0.027
local terms energy: -65.625028
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -11.941
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: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -116.632061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.632061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.632061 (E_RNA)
where:
Base-Base interactions energy: -62.610
where: short stacking energy: -53.818
Base-Backbone interact. energy: 0.066
local terms energy: -54.088415
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -88.374330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.374330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.374330 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -34.835
Base-Backbone interact. energy: -0.115
local terms energy: -50.723778
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -94.042936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.042936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.042936 (E_RNA)
where:
Base-Base interactions energy: -39.436
where: short stacking energy: -29.942
Base-Backbone interact. energy: -0.066
local terms energy: -54.540522
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -5.605
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: 30
Temperature: 1.300000
Total energy: -105.266983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.266983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.266983 (E_RNA)
where:
Base-Base interactions energy: -49.684
where: short stacking energy: -46.120
Base-Backbone interact. energy: -0.032
local terms energy: -55.551081
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -75.966937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.966937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.966937 (E_RNA)
where:
Base-Base interactions energy: -22.881
where: short stacking energy: -22.057
Base-Backbone interact. energy: 1.103
local terms energy: -54.189154
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -211.987011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.987011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.987011 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -64.019
Base-Backbone interact. energy: -0.153
local terms energy: -78.442380
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -189.296764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.296764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.296764 (E_RNA)
where:
Base-Base interactions energy: -112.650
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.001
local terms energy: -76.645035
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -20.377
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: 31
Temperature: 1.000000
Total energy: -203.546809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.546809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.546809 (E_RNA)
where:
Base-Base interactions energy: -127.757
where: short stacking energy: -63.911
Base-Backbone interact. energy: -0.052
local terms energy: -75.738317
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -10.150
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: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -158.067062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.067062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.067062 (E_RNA)
where:
Base-Base interactions energy: -91.373
where: short stacking energy: -56.616
Base-Backbone interact. energy: 1.123
local terms energy: -67.816618
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -161.295701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.295701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.295701 (E_RNA)
where:
Base-Base interactions energy: -96.391
where: short stacking energy: -61.752
Base-Backbone interact. energy: -0.000
local terms energy: -64.904744
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -9.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -122.159264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.159264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.159264 (E_RNA)
where:
Base-Base interactions energy: -64.809
where: short stacking energy: -43.359
Base-Backbone interact. energy: -0.114
local terms energy: -57.236379
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -84.893754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.893754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.893754 (E_RNA)
where:
Base-Base interactions energy: -34.550
where: short stacking energy: -34.550
Base-Backbone interact. energy: -0.282
local terms energy: -50.062564
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -85.968643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.968643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.968643 (E_RNA)
where:
Base-Base interactions energy: -36.895
where: short stacking energy: -36.895
Base-Backbone interact. energy: -0.048
local terms energy: -49.025322
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -8.354
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -9.324
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: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -94.714579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.714579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.714579 (E_RNA)
where:
Base-Base interactions energy: -46.482
where: short stacking energy: -26.375
Base-Backbone interact. energy: -0.684
local terms energy: -47.548522
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -89.032673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.032673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.032673 (E_RNA)
where:
Base-Base interactions energy: -33.556
where: short stacking energy: -33.556
Base-Backbone interact. energy: 1.209
local terms energy: -56.684932
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -197.634209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.634209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.634209 (E_RNA)
where:
Base-Base interactions energy: -127.965
where: short stacking energy: -58.407
Base-Backbone interact. energy: -0.567
local terms energy: -69.101804
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -205.094489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.094489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.094489 (E_RNA)
where:
Base-Base interactions energy: -134.486
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.218
local terms energy: -70.390658
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -10.647
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: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -212.239265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.239265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.239265 (E_RNA)
where:
Base-Base interactions energy: -133.592
where: short stacking energy: -66.527
Base-Backbone interact. energy: -0.674
local terms energy: -77.973527
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -6.383
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: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -158.748841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.748841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.748841 (E_RNA)
where:
Base-Base interactions energy: -94.874
where: short stacking energy: -49.367
Base-Backbone interact. energy: -0.290
local terms energy: -63.584858
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -7.583
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: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -174.157246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.157246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.157246 (E_RNA)
where:
Base-Base interactions energy: -120.375
where: short stacking energy: -53.375
Base-Backbone interact. energy: -0.235
local terms energy: -53.547353
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -5.378
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: 32
Temperature: 1.150000
Total energy: -119.830695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.830695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.830695 (E_RNA)
where:
Base-Base interactions energy: -68.707
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.237
local terms energy: -50.886574
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -8.782
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -91.072537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.072537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.072537 (E_RNA)
where:
Base-Base interactions energy: -38.377
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.136
local terms energy: -52.559730
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -84.197668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.197668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.197668 (E_RNA)
where:
Base-Base interactions energy: -32.851
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.371
local terms energy: -50.976150
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -78.274171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.274171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.274171 (E_RNA)
where:
Base-Base interactions energy: -31.380
where: short stacking energy: -21.270
Base-Backbone interact. energy: -0.230
local terms energy: -46.663927
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: 0.517
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: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -83.601966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.601966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.601966 (E_RNA)
where:
Base-Base interactions energy: -23.360
where: short stacking energy: -23.360
Base-Backbone interact. energy: -0.222
local terms energy: -60.019409
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -188.057608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.057608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.057608 (E_RNA)
where:
Base-Base interactions energy: -118.297
where: short stacking energy: -56.808
Base-Backbone interact. energy: -1.130
local terms energy: -68.631536
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -8.670
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: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -212.523304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.523304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.523304 (E_RNA)
where:
Base-Base interactions energy: -136.550
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.271
local terms energy: -75.701941
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -195.189688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.189688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.189688 (E_RNA)
where:
Base-Base interactions energy: -130.359
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.669
local terms energy: -64.161358
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -19.076
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: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -173.141282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.141282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.141282 (E_RNA)
where:
Base-Base interactions energy: -115.022
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.636
local terms energy: -57.482585
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -153.998311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.998311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.998311 (E_RNA)
where:
Base-Base interactions energy: -89.519
where: short stacking energy: -56.039
Base-Backbone interact. energy: -0.204
local terms energy: -64.275845
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -13.484
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: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -128.226844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.226844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.226844 (E_RNA)
where:
Base-Base interactions energy: -71.669
where: short stacking energy: -45.021
Base-Backbone interact. energy: -0.243
local terms energy: -56.314556
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -8.826
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: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -99.615166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.615166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.615166 (E_RNA)
where:
Base-Base interactions energy: -49.911
where: short stacking energy: -21.475
Base-Backbone interact. energy: 0.011
local terms energy: -49.714568
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -87.904934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.904934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.904934 (E_RNA)
where:
Base-Base interactions energy: -38.206
where: short stacking energy: -35.527
Base-Backbone interact. energy: 0.215
local terms energy: -49.913796
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -80.137532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137532 (E_RNA)
where:
Base-Base interactions energy: -32.785
where: short stacking energy: -26.917
Base-Backbone interact. energy: -0.029
local terms energy: -47.322855
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -2.563
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -97.320989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.320989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.320989 (E_RNA)
where:
Base-Base interactions energy: -47.011
where: short stacking energy: -33.773
Base-Backbone interact. energy: 0.633
local terms energy: -50.943398
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -0.354
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: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -211.702692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.702692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.702692 (E_RNA)
where:
Base-Base interactions energy: -129.759
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.008
local terms energy: -81.934966
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -22.293
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: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -189.372796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.372796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.372796 (E_RNA)
where:
Base-Base interactions energy: -128.561
where: short stacking energy: -51.475
Base-Backbone interact. energy: 0.183
local terms energy: -60.995717
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -188.060809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.060809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.060809 (E_RNA)
where:
Base-Base interactions energy: -117.456
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.079
local terms energy: -70.525889
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -11.595
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: 34
Temperature: 1.050000
Total energy: -167.586183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.586183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.586183 (E_RNA)
where:
Base-Base interactions energy: -103.214
where: short stacking energy: -56.189
Base-Backbone interact. energy: -0.613
local terms energy: -63.759503
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -3.486
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: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -119.950039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.950039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.950039 (E_RNA)
where:
Base-Base interactions energy: -64.689
where: short stacking energy: -37.669
Base-Backbone interact. energy: -0.040
local terms energy: -55.221262
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -5.704
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: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -152.664780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.664780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.664780 (E_RNA)
where:
Base-Base interactions energy: -98.653
where: short stacking energy: -52.705
Base-Backbone interact. energy: 1.690
local terms energy: -55.701007
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -10.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -89.830828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.830828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.830828 (E_RNA)
where:
Base-Base interactions energy: -32.005
where: short stacking energy: -32.205
Base-Backbone interact. energy: -0.184
local terms energy: -57.642064
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -91.079591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.079591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.079591 (E_RNA)
where:
Base-Base interactions energy: -44.780
where: short stacking energy: -31.733
Base-Backbone interact. energy: -0.390
local terms energy: -45.909545
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -2.297
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -109.231974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.231974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.231974 (E_RNA)
where:
Base-Base interactions energy: -54.261
where: short stacking energy: -30.747
Base-Backbone interact. energy: 1.014
local terms energy: -55.985135
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -70.994301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.994301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.994301 (E_RNA)
where:
Base-Base interactions energy: -31.040
where: short stacking energy: -19.556
Base-Backbone interact. energy: -0.822
local terms energy: -39.132609
where:
bonds (distance) C4'-P energy: -7.071
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: 1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -213.527576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.527576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.527576 (E_RNA)
where:
Base-Base interactions energy: -132.443
where: short stacking energy: -65.028
Base-Backbone interact. energy: 0.135
local terms energy: -81.218761
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -19.455
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -196.393013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.393013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.393013 (E_RNA)
where:
Base-Base interactions energy: -128.831
where: short stacking energy: -54.512
Base-Backbone interact. energy: -0.697
local terms energy: -66.865805
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -192.450847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.450847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.450847 (E_RNA)
where:
Base-Base interactions energy: -121.688
where: short stacking energy: -62.254
Base-Backbone interact. energy: -0.089
local terms energy: -70.673950
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -184.680519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.680519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.680519 (E_RNA)
where:
Base-Base interactions energy: -114.147
where: short stacking energy: -58.625
Base-Backbone interact. energy: -0.108
local terms energy: -70.425364
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -10.453
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: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -150.113034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.113034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.113034 (E_RNA)
where:
Base-Base interactions energy: -96.740
where: short stacking energy: -43.329
Base-Backbone interact. energy: -0.408
local terms energy: -52.964926
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -154.048813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.048813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.048813 (E_RNA)
where:
Base-Base interactions energy: -88.049
where: short stacking energy: -44.621
Base-Backbone interact. energy: -0.230
local terms energy: -65.769438
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -116.224277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.224277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.224277 (E_RNA)
where:
Base-Base interactions energy: -66.446
where: short stacking energy: -38.352
Base-Backbone interact. energy: -0.153
local terms energy: -49.625914
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -97.436822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.436822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.436822 (E_RNA)
where:
Base-Base interactions energy: -38.701
where: short stacking energy: -38.701
Base-Backbone interact. energy: -0.016
local terms energy: -58.720167
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -6.527
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: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -98.934716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.934716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.934716 (E_RNA)
where:
Base-Base interactions energy: -58.183
where: short stacking energy: -26.201
Base-Backbone interact. energy: -0.559
local terms energy: -40.192712
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -84.203256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.203256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.203256 (E_RNA)
where:
Base-Base interactions energy: -37.999
where: short stacking energy: -34.689
Base-Backbone interact. energy: -0.018
local terms energy: -46.185868
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -10.004
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: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -213.072429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.072429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.072429 (E_RNA)
where:
Base-Base interactions energy: -138.132
where: short stacking energy: -67.932
Base-Backbone interact. energy: -0.004
local terms energy: -74.937117
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -200.421678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.421678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.421678 (E_RNA)
where:
Base-Base interactions energy: -137.961
where: short stacking energy: -57.158
Base-Backbone interact. energy: -0.714
local terms energy: -61.747261
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -188.016719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.016719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.016719 (E_RNA)
where:
Base-Base interactions energy: -109.888
where: short stacking energy: -63.218
Base-Backbone interact. energy: -0.515
local terms energy: -77.613589
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -175.332036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.332036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.332036 (E_RNA)
where:
Base-Base interactions energy: -104.645
where: short stacking energy: -57.038
Base-Backbone interact. energy: -0.487
local terms energy: -70.200413
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -148.773639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.773639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.773639 (E_RNA)
where:
Base-Base interactions energy: -95.902
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.141
local terms energy: -52.730841
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -5.396
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -12.426
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: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -147.740236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.740236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.740236 (E_RNA)
where:
Base-Base interactions energy: -88.900
where: short stacking energy: -43.392
Base-Backbone interact. energy: -0.609
local terms energy: -58.231073
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -102.146988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.146988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.146988 (E_RNA)
where:
Base-Base interactions energy: -51.928
where: short stacking energy: -41.011
Base-Backbone interact. energy: 1.640
local terms energy: -51.859557
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -9.573
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -84.277120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.277120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.277120 (E_RNA)
where:
Base-Base interactions energy: -33.713
where: short stacking energy: -23.520
Base-Backbone interact. energy: -0.781
local terms energy: -49.782529
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -6.213
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: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -83.771048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.771048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.771048 (E_RNA)
where:
Base-Base interactions energy: -35.426
where: short stacking energy: -31.442
Base-Backbone interact. energy: -0.097
local terms energy: -48.247808
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: 2.113
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -84.063562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.063562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.063562 (E_RNA)
where:
Base-Base interactions energy: -37.645
where: short stacking energy: -24.143
Base-Backbone interact. energy: 2.772
local terms energy: -49.190395
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -216.097560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.097560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.097560 (E_RNA)
where:
Base-Base interactions energy: -136.218
where: short stacking energy: -71.043
Base-Backbone interact. energy: -0.375
local terms energy: -79.504936
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -198.820558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.820558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.820558 (E_RNA)
where:
Base-Base interactions energy: -131.548
where: short stacking energy: -53.973
Base-Backbone interact. energy: -0.578
local terms energy: -66.695002
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -13.059
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: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -185.057090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.057090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.057090 (E_RNA)
where:
Base-Base interactions energy: -109.872
where: short stacking energy: -55.078
Base-Backbone interact. energy: -0.694
local terms energy: -74.490968
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -175.037988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.037988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.037988 (E_RNA)
where:
Base-Base interactions energy: -108.357
where: short stacking energy: -48.552
Base-Backbone interact. energy: -1.499
local terms energy: -65.182202
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -142.813891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.813891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.813891 (E_RNA)
where:
Base-Base interactions energy: -81.464
where: short stacking energy: -40.404
Base-Backbone interact. energy: -0.212
local terms energy: -61.137572
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -96.378325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.378325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.378325 (E_RNA)
where:
Base-Base interactions energy: -50.439
where: short stacking energy: -27.293
Base-Backbone interact. energy: -0.297
local terms energy: -45.642417
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -137.036108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.036108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.036108 (E_RNA)
where:
Base-Base interactions energy: -85.759
where: short stacking energy: -40.380
Base-Backbone interact. energy: -0.078
local terms energy: -51.199116
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -7.179
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: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -90.416565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.416565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.416565 (E_RNA)
where:
Base-Base interactions energy: -38.581
where: short stacking energy: -30.334
Base-Backbone interact. energy: -0.636
local terms energy: -51.199548
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -91.019657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.019657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.019657 (E_RNA)
where:
Base-Base interactions energy: -39.917
where: short stacking energy: -39.361
Base-Backbone interact. energy: 1.049
local terms energy: -52.151922
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -6.357
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: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -84.619954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.619954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.619954 (E_RNA)
where:
Base-Base interactions energy: -36.284
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.485
local terms energy: -47.850993
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -205.735175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.735175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.735175 (E_RNA)
where:
Base-Base interactions energy: -130.556
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.094
local terms energy: -75.085334
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -200.767454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.767454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.767454 (E_RNA)
where:
Base-Base interactions energy: -132.223
where: short stacking energy: -66.117
Base-Backbone interact. energy: 0.565
local terms energy: -69.108964
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -9.720
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -196.084354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.084354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.084354 (E_RNA)
where:
Base-Base interactions energy: -122.039
where: short stacking energy: -68.776
Base-Backbone interact. energy: -0.120
local terms energy: -73.925216
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -178.668166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.668166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.668166 (E_RNA)
where:
Base-Base interactions energy: -112.109
where: short stacking energy: -50.997
Base-Backbone interact. energy: -0.864
local terms energy: -65.695186
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -155.446052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.446052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.446052 (E_RNA)
where:
Base-Base interactions energy: -91.729
where: short stacking energy: -54.299
Base-Backbone interact. energy: -0.050
local terms energy: -63.666956
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -113.543053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.543053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.543053 (E_RNA)
where:
Base-Base interactions energy: -55.906
where: short stacking energy: -54.851
Base-Backbone interact. energy: -0.686
local terms energy: -56.951188
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -94.057174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.057174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.057174 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -35.934
Base-Backbone interact. energy: -0.165
local terms energy: -57.958200
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -94.403047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.403047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.403047 (E_RNA)
where:
Base-Base interactions energy: -49.854
where: short stacking energy: -30.835
Base-Backbone interact. energy: -0.393
local terms energy: -44.155668
where:
bonds (distance) C4'-P energy: -7.172
bonds (distance) P-C4' energy: -10.388
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.709
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: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -89.314781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.314781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.314781 (E_RNA)
where:
Base-Base interactions energy: -29.808
where: short stacking energy: -29.359
Base-Backbone interact. energy: 0.152
local terms energy: -59.658959
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -87.287460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.287460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.287460 (E_RNA)
where:
Base-Base interactions energy: -34.097
where: short stacking energy: -23.524
Base-Backbone interact. energy: -0.387
local terms energy: -52.802790
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -6.153
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: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -200.574843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.574843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.574843 (E_RNA)
where:
Base-Base interactions energy: -132.120
where: short stacking energy: -54.270
Base-Backbone interact. energy: -0.529
local terms energy: -67.925792
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -14.894
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: 39
Temperature: 0.950000
Total energy: -205.926035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.926035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.926035 (E_RNA)
where:
Base-Base interactions energy: -137.395
where: short stacking energy: -69.928
Base-Backbone interact. energy: -0.442
local terms energy: -68.088960
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -191.420915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.420915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.420915 (E_RNA)
where:
Base-Base interactions energy: -119.853
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.826
local terms energy: -70.742290
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -6.923
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: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -176.754963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.754963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.754963 (E_RNA)
where:
Base-Base interactions energy: -104.992
where: short stacking energy: -65.624
Base-Backbone interact. energy: -0.073
local terms energy: -71.689774
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -149.033581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.033581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.033581 (E_RNA)
where:
Base-Base interactions energy: -88.086
where: short stacking energy: -50.480
Base-Backbone interact. energy: 0.023
local terms energy: -60.969956
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -9.636
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -12.330
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: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -120.152646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.152646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.152646 (E_RNA)
where:
Base-Base interactions energy: -65.706
where: short stacking energy: -46.299
Base-Backbone interact. energy: 0.634
local terms energy: -55.080430
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -6.755
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: 39
Temperature: 1.200000
Total energy: -91.101680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.101680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.101680 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -28.938
Base-Backbone interact. energy: -0.356
local terms energy: -56.264183
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -7.128
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -93.968997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.968997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.968997 (E_RNA)
where:
Base-Base interactions energy: -38.524
where: short stacking energy: -38.524
Base-Backbone interact. energy: 0.545
local terms energy: -55.990536
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -78.457055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.457055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.457055 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -29.646
Base-Backbone interact. energy: -0.184
local terms energy: -48.201943
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -8.875
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: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -88.480499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.480499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.480499 (E_RNA)
where:
Base-Base interactions energy: -46.646
where: short stacking energy: -17.181
Base-Backbone interact. energy: -0.489
local terms energy: -41.345482
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -3.639
tors. eta vs tors. theta energy: 3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -190.976267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.976267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.976267 (E_RNA)
where:
Base-Base interactions energy: -115.125
where: short stacking energy: -57.202
Base-Backbone interact. energy: -0.002
local terms energy: -75.849278
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -196.833950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.833950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.833950 (E_RNA)
where:
Base-Base interactions energy: -125.678
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.540
local terms energy: -70.615301
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -162.444158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.444158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.444158 (E_RNA)
where:
Base-Base interactions energy: -97.208
where: short stacking energy: -45.873
Base-Backbone interact. energy: 0.098
local terms energy: -65.333940
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -190.662078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.662078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.662078 (E_RNA)
where:
Base-Base interactions energy: -116.684
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.001
local terms energy: -73.977181
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -21.527
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: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -104.644085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.644085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.644085 (E_RNA)
where:
Base-Base interactions energy: -35.863
where: short stacking energy: -25.300
Base-Backbone interact. energy: -0.125
local terms energy: -68.656528
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -9.704
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: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -144.728209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.728209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.728209 (E_RNA)
where:
Base-Base interactions energy: -89.129
where: short stacking energy: -40.315
Base-Backbone interact. energy: -0.939
local terms energy: -54.659793
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -11.194
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: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -84.163254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.163254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.163254 (E_RNA)
where:
Base-Base interactions energy: -35.582
where: short stacking energy: -35.582
Base-Backbone interact. energy: 0.120
local terms energy: -48.701664
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -80.082913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.082913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.082913 (E_RNA)
where:
Base-Base interactions energy: -36.733
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.498
local terms energy: -42.851319
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: 0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -86.862155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.862155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.862155 (E_RNA)
where:
Base-Base interactions energy: -34.487
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.116
local terms energy: -52.259166
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -84.901039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.901039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.901039 (E_RNA)
where:
Base-Base interactions energy: -32.881
where: short stacking energy: -25.448
Base-Backbone interact. energy: -0.060
local terms energy: -51.960937
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -7.144
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: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -222.902050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.902050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.902050 (E_RNA)
where:
Base-Base interactions energy: -140.763
where: short stacking energy: -69.871
Base-Backbone interact. energy: -0.575
local terms energy: -81.564043
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -171.020134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.020134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.020134 (E_RNA)
where:
Base-Base interactions energy: -107.054
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.192
local terms energy: -63.773712
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -196.836909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.836909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.836909 (E_RNA)
where:
Base-Base interactions energy: -128.041
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.451
local terms energy: -68.345652
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -16.065
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: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -192.270391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.270391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.270391 (E_RNA)
where:
Base-Base interactions energy: -123.144
where: short stacking energy: -71.394
Base-Backbone interact. energy: -0.002
local terms energy: -69.125065
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -112.304851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.304851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.304851 (E_RNA)
where:
Base-Base interactions energy: -57.470
where: short stacking energy: -45.483
Base-Backbone interact. energy: 0.001
local terms energy: -54.835893
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -7.983
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -148.873665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.873665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.873665 (E_RNA)
where:
Base-Base interactions energy: -85.067
where: short stacking energy: -52.823
Base-Backbone interact. energy: -0.002
local terms energy: -63.804336
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -100.257912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.257912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.257912 (E_RNA)
where:
Base-Base interactions energy: -48.653
where: short stacking energy: -33.920
Base-Backbone interact. energy: -0.074
local terms energy: -51.530264
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -9.006
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -82.409821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.409821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.409821 (E_RNA)
where:
Base-Base interactions energy: -28.074
where: short stacking energy: -27.854
Base-Backbone interact. energy: -0.091
local terms energy: -54.244624
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -91.941296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.941296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.941296 (E_RNA)
where:
Base-Base interactions energy: -40.275
where: short stacking energy: -34.035
Base-Backbone interact. energy: -0.092
local terms energy: -51.574545
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -88.919258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.919258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.919258 (E_RNA)
where:
Base-Base interactions energy: -49.565
where: short stacking energy: -18.365
Base-Backbone interact. energy: -0.394
local terms energy: -38.960854
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: 0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -225.338926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.338926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.338926 (E_RNA)
where:
Base-Base interactions energy: -148.034
where: short stacking energy: -78.626
Base-Backbone interact. energy: -0.616
local terms energy: -76.688406
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -194.179983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.179983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.179983 (E_RNA)
where:
Base-Base interactions energy: -118.458
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.024
local terms energy: -75.698632
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -215.619808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.619808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.619808 (E_RNA)
where:
Base-Base interactions energy: -138.352
where: short stacking energy: -76.485
Base-Backbone interact. energy: -0.158
local terms energy: -77.110096
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -22.473
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: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -169.900582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.900582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.900582 (E_RNA)
where:
Base-Base interactions energy: -108.236
where: short stacking energy: -50.728
Base-Backbone interact. energy: -0.037
local terms energy: -61.627665
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -10.422
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: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -147.986187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.986187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.986187 (E_RNA)
where:
Base-Base interactions energy: -89.976
where: short stacking energy: -44.935
Base-Backbone interact. energy: -0.573
local terms energy: -57.437530
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.659
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: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -91.762583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.762583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.762583 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -35.861
Base-Backbone interact. energy: -0.274
local terms energy: -50.901294
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -108.784619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.784619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.784619 (E_RNA)
where:
Base-Base interactions energy: -48.572
where: short stacking energy: -43.984
Base-Backbone interact. energy: -0.050
local terms energy: -60.163033
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -85.778654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.778654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.778654 (E_RNA)
where:
Base-Base interactions energy: -38.173
where: short stacking energy: -24.087
Base-Backbone interact. energy: 0.472
local terms energy: -48.077039
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -78.928026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.928026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.928026 (E_RNA)
where:
Base-Base interactions energy: -26.241
where: short stacking energy: -24.180
Base-Backbone interact. energy: -0.149
local terms energy: -52.538304
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -75.481604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.481604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.481604 (E_RNA)
where:
Base-Base interactions energy: -31.265
where: short stacking energy: -17.519
Base-Backbone interact. energy: -0.788
local terms energy: -43.428584
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -220.898294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.898294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.898294 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -76.069
Base-Backbone interact. energy: -0.051
local terms energy: -79.839243
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -22.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -202.631312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.631312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.631312 (E_RNA)
where:
Base-Base interactions energy: -133.112
where: short stacking energy: -60.899
Base-Backbone interact. energy: -0.003
local terms energy: -69.516510
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -16.725
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: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -181.709498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.709498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.709498 (E_RNA)
where:
Base-Base interactions energy: -107.313
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.061
local terms energy: -74.335620
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -160.185246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.185246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.185246 (E_RNA)
where:
Base-Base interactions energy: -95.858
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.023
local terms energy: -64.304973
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -9.057
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: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -175.198764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.198764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.198764 (E_RNA)
where:
Base-Base interactions energy: -113.032
where: short stacking energy: -51.803
Base-Backbone interact. energy: -0.110
local terms energy: -62.056663
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -107.978566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.978566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.978566 (E_RNA)
where:
Base-Base interactions energy: -44.477
where: short stacking energy: -44.477
Base-Backbone interact. energy: -0.036
local terms energy: -63.465055
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -88.752369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.752369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.752369 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -27.772
Base-Backbone interact. energy: -0.212
local terms energy: -48.326167
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -6.053
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: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -90.919340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.919340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.919340 (E_RNA)
where:
Base-Base interactions energy: -33.060
where: short stacking energy: -30.553
Base-Backbone interact. energy: -0.362
local terms energy: -57.497019
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -80.110311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.110311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.110311 (E_RNA)
where:
Base-Base interactions energy: -32.563
where: short stacking energy: -19.540
Base-Backbone interact. energy: -1.950
local terms energy: -45.597871
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: 0.573
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: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -82.344834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.344834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.344834 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -30.970
Base-Backbone interact. energy: -0.161
local terms energy: -46.693912
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -227.496920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.496920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.496920 (E_RNA)
where:
Base-Base interactions energy: -147.630
where: short stacking energy: -78.821
Base-Backbone interact. energy: -0.069
local terms energy: -79.797662
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -22.206
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: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -197.678940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.678940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.678940 (E_RNA)
where:
Base-Base interactions energy: -130.084
where: short stacking energy: -73.566
Base-Backbone interact. energy: -0.637
local terms energy: -66.957424
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -156.415422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.415422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.415422 (E_RNA)
where:
Base-Base interactions energy: -87.342
where: short stacking energy: -50.715
Base-Backbone interact. energy: -0.620
local terms energy: -68.452724
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -165.672791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.672791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.672791 (E_RNA)
where:
Base-Base interactions energy: -97.623
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.032
local terms energy: -68.018495
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -14.009
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: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -174.576633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.576633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.576633 (E_RNA)
where:
Base-Base interactions energy: -110.370
where: short stacking energy: -59.057
Base-Backbone interact. energy: -0.128
local terms energy: -64.078037
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -95.910200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.910200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.910200 (E_RNA)
where:
Base-Base interactions energy: -45.551
where: short stacking energy: -32.704
Base-Backbone interact. energy: 1.109
local terms energy: -51.468597
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -4.890
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: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -103.078550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.078550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.078550 (E_RNA)
where:
Base-Base interactions energy: -61.121
where: short stacking energy: -32.535
Base-Backbone interact. energy: -0.365
local terms energy: -41.592819
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -83.771295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.771295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.771295 (E_RNA)
where:
Base-Base interactions energy: -29.976
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.181
local terms energy: -53.614895
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -89.154800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154800 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -31.536
Base-Backbone interact. energy: 0.423
local terms energy: -50.353874
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -5.456
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: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -84.411996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.411996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.411996 (E_RNA)
where:
Base-Base interactions energy: -29.635
where: short stacking energy: -27.536
Base-Backbone interact. energy: 0.481
local terms energy: -55.258129
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -220.942825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.942825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.942825 (E_RNA)
where:
Base-Base interactions energy: -144.646
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.072
local terms energy: -76.224965
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -200.053855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.053855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.053855 (E_RNA)
where:
Base-Base interactions energy: -118.638
where: short stacking energy: -67.418
Base-Backbone interact. energy: -1.968
local terms energy: -79.448165
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -20.181
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: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -165.656861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.656861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.656861 (E_RNA)
where:
Base-Base interactions energy: -95.556
where: short stacking energy: -58.737
Base-Backbone interact. energy: -0.085
local terms energy: -70.015903
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -11.482
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: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -189.461381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.461381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.461381 (E_RNA)
where:
Base-Base interactions energy: -117.393
where: short stacking energy: -58.518
Base-Backbone interact. energy: -1.382
local terms energy: -70.686497
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -156.043505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.043505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.043505 (E_RNA)
where:
Base-Base interactions energy: -89.038
where: short stacking energy: -42.589
Base-Backbone interact. energy: 1.385
local terms energy: -68.389930
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -95.939661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.939661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.939661 (E_RNA)
where:
Base-Base interactions energy: -40.155
where: short stacking energy: -40.155
Base-Backbone interact. energy: -0.002
local terms energy: -55.782858
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -113.799242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.799242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.799242 (E_RNA)
where:
Base-Base interactions energy: -66.801
where: short stacking energy: -34.795
Base-Backbone interact. energy: 0.442
local terms energy: -47.440486
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -85.457348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.457348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.457348 (E_RNA)
where:
Base-Base interactions energy: -30.049
where: short stacking energy: -28.678
Base-Backbone interact. energy: -1.373
local terms energy: -54.034602
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -4.455
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -94.439216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.439216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.439216 (E_RNA)
where:
Base-Base interactions energy: -37.597
where: short stacking energy: -23.925
Base-Backbone interact. energy: -0.102
local terms energy: -56.740527
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -80.530871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.530871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.530871 (E_RNA)
where:
Base-Base interactions energy: -32.491
where: short stacking energy: -21.717
Base-Backbone interact. energy: -0.278
local terms energy: -47.761545
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: 4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -217.094949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.094949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.094949 (E_RNA)
where:
Base-Base interactions energy: -143.263
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.879
local terms energy: -72.952532
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -204.554206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.554206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.554206 (E_RNA)
where:
Base-Base interactions energy: -126.561
where: short stacking energy: -62.521
Base-Backbone interact. energy: -0.002
local terms energy: -77.991416
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -17.828
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: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -172.560033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.560033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.560033 (E_RNA)
where:
Base-Base interactions energy: -98.842
where: short stacking energy: -61.926
Base-Backbone interact. energy: 1.295
local terms energy: -75.013374
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -190.221119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.221119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.221119 (E_RNA)
where:
Base-Base interactions energy: -121.380
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.020
local terms energy: -68.821242
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -170.700053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.700053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.700053 (E_RNA)
where:
Base-Base interactions energy: -108.388
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.689
local terms energy: -61.623024
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -109.020548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.020548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.020548 (E_RNA)
where:
Base-Base interactions energy: -44.785
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.115
local terms energy: -64.120452
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -101.157522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.157522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.157522 (E_RNA)
where:
Base-Base interactions energy: -50.939
where: short stacking energy: -47.143
Base-Backbone interact. energy: 1.996
local terms energy: -52.214422
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -87.725785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.725785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.725785 (E_RNA)
where:
Base-Base interactions energy: -30.100
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.839
local terms energy: -56.786052
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -10.483
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: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -89.251855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.251855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.251855 (E_RNA)
where:
Base-Base interactions energy: -44.702
where: short stacking energy: -31.034
Base-Backbone interact. energy: -0.653
local terms energy: -43.896171
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -3.184
tors. eta vs tors. theta energy: -5.503
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: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -77.390835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.390835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.390835 (E_RNA)
where:
Base-Base interactions energy: -24.602
where: short stacking energy: -23.131
Base-Backbone interact. energy: -0.331
local terms energy: -52.458134
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -4.316
tors. eta vs tors. theta energy: -2.243
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: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -216.612277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.612277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.612277 (E_RNA)
where:
Base-Base interactions energy: -140.457
where: short stacking energy: -74.489
Base-Backbone interact. energy: -0.019
local terms energy: -76.135717
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -182.615567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.615567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.615567 (E_RNA)
where:
Base-Base interactions energy: -110.283
where: short stacking energy: -67.618
Base-Backbone interact. energy: -0.619
local terms energy: -71.714026
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -14.464
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: 47
Temperature: 1.000000
Total energy: -190.437163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.437163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.437163 (E_RNA)
where:
Base-Base interactions energy: -113.598
where: short stacking energy: -66.225
Base-Backbone interact. energy: -0.726
local terms energy: -76.112782
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -19.198
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: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -195.242615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.242615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.242615 (E_RNA)
where:
Base-Base interactions energy: -127.039
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.012
local terms energy: -68.191697
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -20.068
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: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -168.432391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.432391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.432391 (E_RNA)
where:
Base-Base interactions energy: -104.590
where: short stacking energy: -45.495
Base-Backbone interact. energy: -0.054
local terms energy: -63.788273
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -97.111536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.111536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.111536 (E_RNA)
where:
Base-Base interactions energy: -46.333
where: short stacking energy: -38.949
Base-Backbone interact. energy: -0.268
local terms energy: -50.509821
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -95.130721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.130721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.130721 (E_RNA)
where:
Base-Base interactions energy: -39.315
where: short stacking energy: -39.315
Base-Backbone interact. energy: -0.178
local terms energy: -55.637747
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -8.333
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: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -87.884436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.884436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.884436 (E_RNA)
where:
Base-Base interactions energy: -38.178
where: short stacking energy: -34.124
Base-Backbone interact. energy: 2.825
local terms energy: -52.531822
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -9.380
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: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -94.527678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.527678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.527678 (E_RNA)
where:
Base-Base interactions energy: -48.232
where: short stacking energy: -30.856
Base-Backbone interact. energy: 2.860
local terms energy: -49.156420
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -81.789351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.789351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.789351 (E_RNA)
where:
Base-Base interactions energy: -30.895
where: short stacking energy: -30.895
Base-Backbone interact. energy: -0.089
local terms energy: -50.805571
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -224.744067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.744067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.744067 (E_RNA)
where:
Base-Base interactions energy: -145.986
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.047
local terms energy: -78.711503
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -20.933
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: 2, replica: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -189.021319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.021319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.021319 (E_RNA)
where:
Base-Base interactions energy: -118.225
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.525
local terms energy: -70.271135
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -185.197656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.197656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.197656 (E_RNA)
where:
Base-Base interactions energy: -113.919
where: short stacking energy: -69.866
Base-Backbone interact. energy: -2.762
local terms energy: -68.516351
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -177.357527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.357527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.357527 (E_RNA)
where:
Base-Base interactions energy: -106.810
where: short stacking energy: -55.503
Base-Backbone interact. energy: -0.002
local terms energy: -70.545462
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -152.770030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.770030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.770030 (E_RNA)
where:
Base-Base interactions energy: -97.079
where: short stacking energy: -42.663
Base-Backbone interact. energy: -0.008
local terms energy: -55.683277
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -3.848
flat angles P-C4'-P energy: -9.061
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: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -99.420188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.420188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.420188 (E_RNA)
where:
Base-Base interactions energy: -39.490
where: short stacking energy: -39.490
Base-Backbone interact. energy: -0.074
local terms energy: -59.856849
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -82.045539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.045539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.045539 (E_RNA)
where:
Base-Base interactions energy: -32.699
where: short stacking energy: -31.006
Base-Backbone interact. energy: -0.211
local terms energy: -49.136203
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -82.182364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.182364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.182364 (E_RNA)
where:
Base-Base interactions energy: -36.130
where: short stacking energy: -31.680
Base-Backbone interact. energy: 0.226
local terms energy: -46.277837
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -3.104
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: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -82.320032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.320032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.320032 (E_RNA)
where:
Base-Base interactions energy: -28.892
where: short stacking energy: -28.892
Base-Backbone interact. energy: -0.014
local terms energy: -53.414430
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -82.433326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.433326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.433326 (E_RNA)
where:
Base-Base interactions energy: -35.576
where: short stacking energy: -20.220
Base-Backbone interact. energy: -0.398
local terms energy: -46.459331
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -6.831
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: 49
Temperature: 0.900000
Total energy: -224.924056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.924056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.924056 (E_RNA)
where:
Base-Base interactions energy: -143.283
where: short stacking energy: -74.998
Base-Backbone interact. energy: 0.140
local terms energy: -81.780651
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -192.136640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.136640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.136640 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -64.793
Base-Backbone interact. energy: 0.491
local terms energy: -65.213483
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -9.378
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: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -184.064826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.064826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.064826 (E_RNA)
where:
Base-Base interactions energy: -112.193
where: short stacking energy: -62.728
Base-Backbone interact. energy: -0.025
local terms energy: -71.847002
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -171.589498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.589498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.589498 (E_RNA)
where:
Base-Base interactions energy: -102.519
where: short stacking energy: -54.013
Base-Backbone interact. energy: 0.246
local terms energy: -69.316167
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -173.169272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.169272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.169272 (E_RNA)
where:
Base-Base interactions energy: -114.376
where: short stacking energy: -55.643
Base-Backbone interact. energy: -0.146
local terms energy: -58.647120
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -100.010321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.010321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.010321 (E_RNA)
where:
Base-Base interactions energy: -48.279
where: short stacking energy: -38.026
Base-Backbone interact. energy: -0.164
local terms energy: -51.566935
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -7.983
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: 49
Temperature: 1.200000
Total energy: -100.336924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.336924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.336924 (E_RNA)
where:
Base-Base interactions energy: -40.799
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.380
local terms energy: -59.158037
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -103.758534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.758534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.758534 (E_RNA)
where:
Base-Base interactions energy: -56.189
where: short stacking energy: -31.319
Base-Backbone interact. energy: -0.261
local terms energy: -47.308506
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: 1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -86.758938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.758938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.758938 (E_RNA)
where:
Base-Base interactions energy: -42.845
where: short stacking energy: -41.648
Base-Backbone interact. energy: -0.025
local terms energy: -43.889783
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -5.176
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: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -73.567696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.567696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.567696 (E_RNA)
where:
Base-Base interactions energy: -34.115
where: short stacking energy: -21.488
Base-Backbone interact. energy: -0.435
local terms energy: -39.017753
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -3.876
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: 3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -208.848860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.848860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.848860 (E_RNA)
where:
Base-Base interactions energy: -128.835
where: short stacking energy: -76.281
Base-Backbone interact. energy: -0.015
local terms energy: -79.998867
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -220.925390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.925390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.925390 (E_RNA)
where:
Base-Base interactions energy: -143.478
where: short stacking energy: -76.013
Base-Backbone interact. energy: -0.066
local terms energy: -77.381802
where:
bonds (distance) C4'-P energy: -7.444
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -23.485
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: 50
Temperature: 1.000000
Total energy: -171.346568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.346568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.346568 (E_RNA)
where:
Base-Base interactions energy: -96.659
where: short stacking energy: -53.757
Base-Backbone interact. energy: -0.128
local terms energy: -74.559768
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -158.212661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.212661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.212661 (E_RNA)
where:
Base-Base interactions energy: -94.501
where: short stacking energy: -53.461
Base-Backbone interact. energy: -1.184
local terms energy: -62.527638
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -11.465
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: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -177.214385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.214385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.214385 (E_RNA)
where:
Base-Base interactions energy: -104.459
where: short stacking energy: -53.970
Base-Backbone interact. energy: -0.071
local terms energy: -72.683842
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -11.511
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: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -113.036128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.036128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.036128 (E_RNA)
where:
Base-Base interactions energy: -54.062
where: short stacking energy: -48.115
Base-Backbone interact. energy: -0.011
local terms energy: -58.963608
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -95.926119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.926119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.926119 (E_RNA)
where:
Base-Base interactions energy: -39.534
where: short stacking energy: -39.483
Base-Backbone interact. energy: -0.028
local terms energy: -56.364887
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -5.341
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: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -83.684017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.684017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.684017 (E_RNA)
where:
Base-Base interactions energy: -26.166
where: short stacking energy: -26.166
Base-Backbone interact. energy: -0.004
local terms energy: -57.513947
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -81.680149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.680149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.680149 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -28.648
Base-Backbone interact. energy: -0.147
local terms energy: -52.885487
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -7.103
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: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -82.886149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.886149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.886149 (E_RNA)
where:
Base-Base interactions energy: -32.502
where: short stacking energy: -27.248
Base-Backbone interact. energy: -0.128
local terms energy: -50.256384
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -207.945173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.945173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.945173 (E_RNA)
where:
Base-Base interactions energy: -126.946
where: short stacking energy: -76.637
Base-Backbone interact. energy: -0.175
local terms energy: -80.823938
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -22.540
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: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -206.282165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.282165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.282165 (E_RNA)
where:
Base-Base interactions energy: -129.954
where: short stacking energy: -63.913
Base-Backbone interact. energy: -0.447
local terms energy: -75.880851
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -178.171648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.171648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.171648 (E_RNA)
where:
Base-Base interactions energy: -111.242
where: short stacking energy: -62.336
Base-Backbone interact. energy: 0.449
local terms energy: -67.378307
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -155.558907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.558907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.558907 (E_RNA)
where:
Base-Base interactions energy: -92.017
where: short stacking energy: -61.571
Base-Backbone interact. energy: -0.052
local terms energy: -63.490325
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -162.887498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.887498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.887498 (E_RNA)
where:
Base-Base interactions energy: -98.236
where: short stacking energy: -51.347
Base-Backbone interact. energy: -0.671
local terms energy: -63.979814
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -14.458
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: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -94.624329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.624329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.624329 (E_RNA)
where:
Base-Base interactions energy: -33.477
where: short stacking energy: -32.728
Base-Backbone interact. energy: -0.100
local terms energy: -61.046897
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -4.890
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: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -87.170118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.170118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.170118 (E_RNA)
where:
Base-Base interactions energy: -32.789
where: short stacking energy: -29.148
Base-Backbone interact. energy: -0.136
local terms energy: -54.245021
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -90.666792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.666792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.666792 (E_RNA)
where:
Base-Base interactions energy: -33.210
where: short stacking energy: -29.577
Base-Backbone interact. energy: -0.703
local terms energy: -56.754289
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -76.056746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.056746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.056746 (E_RNA)
where:
Base-Base interactions energy: -23.337
where: short stacking energy: -23.337
Base-Backbone interact. energy: -0.051
local terms energy: -52.669085
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -75.544866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.544866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.544866 (E_RNA)
where:
Base-Base interactions energy: -22.323
where: short stacking energy: -19.158
Base-Backbone interact. energy: -0.362
local terms energy: -52.859960
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: 1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -205.304995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.304995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.304995 (E_RNA)
where:
Base-Base interactions energy: -123.833
where: short stacking energy: -72.897
Base-Backbone interact. energy: -0.002
local terms energy: -81.470514
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -22.873
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: 52
Temperature: 0.950000
Total energy: -209.374045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.374045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.374045 (E_RNA)
where:
Base-Base interactions energy: -137.626
where: short stacking energy: -67.053
Base-Backbone interact. energy: -0.025
local terms energy: -71.723082
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -157.942202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.942202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.942202 (E_RNA)
where:
Base-Base interactions energy: -87.130
where: short stacking energy: -56.901
Base-Backbone interact. energy: -0.711
local terms energy: -70.101030
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -9.995
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: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -156.086911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.086911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.086911 (E_RNA)
where:
Base-Base interactions energy: -96.645
where: short stacking energy: -44.515
Base-Backbone interact. energy: -0.648
local terms energy: -58.793794
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -7.597
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: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -156.936181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.936181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.936181 (E_RNA)
where:
Base-Base interactions energy: -84.795
where: short stacking energy: -51.798
Base-Backbone interact. energy: -0.227
local terms energy: -71.913880
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -95.918080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.918080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.918080 (E_RNA)
where:
Base-Base interactions energy: -39.195
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.118
local terms energy: -56.605402
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -4.865
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: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -135.859738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.859738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.859738 (E_RNA)
where:
Base-Base interactions energy: -79.526
where: short stacking energy: -42.129
Base-Backbone interact. energy: -0.620
local terms energy: -55.713933
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -96.499125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.499125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.499125 (E_RNA)
where:
Base-Base interactions energy: -43.106
where: short stacking energy: -36.010
Base-Backbone interact. energy: -0.003
local terms energy: -53.390270
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -6.874
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: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -92.542981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.542981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.542981 (E_RNA)
where:
Base-Base interactions energy: -41.773
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.494
local terms energy: -50.275592
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -71.846986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.846986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.846986 (E_RNA)
where:
Base-Base interactions energy: -23.224
where: short stacking energy: -20.641
Base-Backbone interact. energy: -1.274
local terms energy: -47.348946
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -199.155455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.155455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.155455 (E_RNA)
where:
Base-Base interactions energy: -118.189
where: short stacking energy: -69.298
Base-Backbone interact. energy: -0.015
local terms energy: -80.951745
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -160.159330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.159330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.159330 (E_RNA)
where:
Base-Base interactions energy: -88.872
where: short stacking energy: -53.188
Base-Backbone interact. energy: -0.075
local terms energy: -71.212704
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -214.254191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.254191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.254191 (E_RNA)
where:
Base-Base interactions energy: -136.840
where: short stacking energy: -67.316
Base-Backbone interact. energy: -0.014
local terms energy: -77.400253
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.803
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: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -168.897649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.897649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.897649 (E_RNA)
where:
Base-Base interactions energy: -101.360
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.657
local terms energy: -66.880337
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -165.095846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.095846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.095846 (E_RNA)
where:
Base-Base interactions energy: -96.018
where: short stacking energy: -49.436
Base-Backbone interact. energy: -1.186
local terms energy: -67.891979
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -10.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -101.941462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.941462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.941462 (E_RNA)
where:
Base-Base interactions energy: -45.238
where: short stacking energy: -45.238
Base-Backbone interact. energy: -0.192
local terms energy: -56.511265
where:
bonds (distance) C4'-P energy: -7.458
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -107.347748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.347748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.347748 (E_RNA)
where:
Base-Base interactions energy: -57.851
where: short stacking energy: -24.166
Base-Backbone interact. energy: -0.919
local terms energy: -48.577922
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -91.203771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.203771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.203771 (E_RNA)
where:
Base-Base interactions energy: -37.306
where: short stacking energy: -29.437
Base-Backbone interact. energy: -0.140
local terms energy: -53.757173
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -75.612673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.612673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.612673 (E_RNA)
where:
Base-Base interactions energy: -28.638
where: short stacking energy: -28.324
Base-Backbone interact. energy: -0.135
local terms energy: -46.839630
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -5.062
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: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -81.598084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.598084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.598084 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -32.817
Base-Backbone interact. energy: -0.062
local terms energy: -46.669230
where:
bonds (distance) C4'-P energy: -6.767
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -8.704
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: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -199.640775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.640775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.640775 (E_RNA)
where:
Base-Base interactions energy: -125.729
where: short stacking energy: -72.510
Base-Backbone interact. energy: -0.076
local terms energy: -73.835392
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -166.377576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.377576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.377576 (E_RNA)
where:
Base-Base interactions energy: -98.574
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.027
local terms energy: -67.776627
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -219.711265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.711265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.711265 (E_RNA)
where:
Base-Base interactions energy: -142.610
where: short stacking energy: -72.879
Base-Backbone interact. energy: 0.012
local terms energy: -77.113637
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -11.325
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: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -188.302483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.302483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.302483 (E_RNA)
where:
Base-Base interactions energy: -122.401
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.103
local terms energy: -65.797908
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -159.381671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.381671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.381671 (E_RNA)
where:
Base-Base interactions energy: -98.716
where: short stacking energy: -60.765
Base-Backbone interact. energy: -2.713
local terms energy: -57.951775
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -123.437577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.437577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.437577 (E_RNA)
where:
Base-Base interactions energy: -63.153
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.020
local terms energy: -60.264144
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -95.025830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.025830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.025830 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.019
local terms energy: -58.115246
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -87.369856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.369856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.369856 (E_RNA)
where:
Base-Base interactions energy: -43.656
where: short stacking energy: -35.363
Base-Backbone interact. energy: -0.083
local terms energy: -43.630152
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -93.087614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.087614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.087614 (E_RNA)
where:
Base-Base interactions energy: -35.662
where: short stacking energy: -25.539
Base-Backbone interact. energy: 0.255
local terms energy: -57.680765
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -82.590708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.590708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.590708 (E_RNA)
where:
Base-Base interactions energy: -33.307
where: short stacking energy: -30.344
Base-Backbone interact. energy: 0.918
local terms energy: -50.201337
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -6.956
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: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -209.843368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.843368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.843368 (E_RNA)
where:
Base-Base interactions energy: -128.605
where: short stacking energy: -75.643
Base-Backbone interact. energy: -0.009
local terms energy: -81.229774
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -19.757
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: 55
Temperature: 0.950000
Total energy: -218.422229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.422229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.422229 (E_RNA)
where:
Base-Base interactions energy: -142.782
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.062
local terms energy: -75.577928
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -23.483
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: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -162.531232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.531232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.531232 (E_RNA)
where:
Base-Base interactions energy: -96.429
where: short stacking energy: -54.606
Base-Backbone interact. energy: -0.453
local terms energy: -65.649762
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -175.637810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.637810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.637810 (E_RNA)
where:
Base-Base interactions energy: -105.077
where: short stacking energy: -56.818
Base-Backbone interact. energy: -0.179
local terms energy: -70.381830
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -168.625777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.625777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.625777 (E_RNA)
where:
Base-Base interactions energy: -102.719
where: short stacking energy: -55.492
Base-Backbone interact. energy: -0.011
local terms energy: -65.895798
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -93.026193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.026193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.026193 (E_RNA)
where:
Base-Base interactions energy: -42.015
where: short stacking energy: -25.907
Base-Backbone interact. energy: -1.285
local terms energy: -49.726344
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: 1.241
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: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -90.875672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.875672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.875672 (E_RNA)
where:
Base-Base interactions energy: -49.683
where: short stacking energy: -30.361
Base-Backbone interact. energy: -0.727
local terms energy: -40.465641
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: 2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -83.741512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.741512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.741512 (E_RNA)
where:
Base-Base interactions energy: -34.053
where: short stacking energy: -34.000
Base-Backbone interact. energy: -0.140
local terms energy: -49.548987
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -82.012470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.012470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.012470 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.918
local terms energy: -50.407476
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -0.873
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -77.858155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.858155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.858155 (E_RNA)
where:
Base-Base interactions energy: -27.842
where: short stacking energy: -26.188
Base-Backbone interact. energy: -0.113
local terms energy: -49.903115
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: -2.881
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: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -224.006251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.006251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.006251 (E_RNA)
where:
Base-Base interactions energy: -144.000
where: short stacking energy: -72.361
Base-Backbone interact. energy: -0.004
local terms energy: -80.002730
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -207.072179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.072179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.072179 (E_RNA)
where:
Base-Base interactions energy: -128.787
where: short stacking energy: -69.376
Base-Backbone interact. energy: -0.001
local terms energy: -78.284412
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -20.340
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: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -172.110399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.110399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.110399 (E_RNA)
where:
Base-Base interactions energy: -102.703
where: short stacking energy: -62.163
Base-Backbone interact. energy: -0.691
local terms energy: -68.716148
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -171.240134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.240134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.240134 (E_RNA)
where:
Base-Base interactions energy: -103.175
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.402
local terms energy: -67.663069
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -177.134199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.134199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.134199 (E_RNA)
where:
Base-Base interactions energy: -109.820
where: short stacking energy: -47.641
Base-Backbone interact. energy: -0.459
local terms energy: -66.855559
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -95.538255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.538255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.538255 (E_RNA)
where:
Base-Base interactions energy: -42.248
where: short stacking energy: -35.284
Base-Backbone interact. energy: -0.250
local terms energy: -53.040362
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -2.689
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: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -113.097990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.097990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.097990 (E_RNA)
where:
Base-Base interactions energy: -58.585
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.094
local terms energy: -54.419343
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: 0.508
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: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -92.317924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.317924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.317924 (E_RNA)
where:
Base-Base interactions energy: -41.526
where: short stacking energy: -28.576
Base-Backbone interact. energy: -0.395
local terms energy: -50.396234
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -96.101250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.101250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.101250 (E_RNA)
where:
Base-Base interactions energy: -42.550
where: short stacking energy: -32.785
Base-Backbone interact. energy: -0.532
local terms energy: -53.018563
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -75.514852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.514852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.514852 (E_RNA)
where:
Base-Base interactions energy: -29.217
where: short stacking energy: -28.581
Base-Backbone interact. energy: -0.035
local terms energy: -46.263400
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -219.973649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.973649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.973649 (E_RNA)
where:
Base-Base interactions energy: -141.856
where: short stacking energy: -72.813
Base-Backbone interact. energy: -0.000
local terms energy: -78.117400
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -21.296
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: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -197.564014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.564014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.564014 (E_RNA)
where:
Base-Base interactions energy: -117.810
where: short stacking energy: -62.367
Base-Backbone interact. energy: -0.041
local terms energy: -79.712589
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -20.941
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: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -169.477156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.477156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.477156 (E_RNA)
where:
Base-Base interactions energy: -93.405
where: short stacking energy: -61.150
Base-Backbone interact. energy: -0.942
local terms energy: -75.130589
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -158.598093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.598093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.598093 (E_RNA)
where:
Base-Base interactions energy: -87.027
where: short stacking energy: -47.301
Base-Backbone interact. energy: -0.004
local terms energy: -71.567766
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -182.829138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.829138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.829138 (E_RNA)
where:
Base-Base interactions energy: -117.833
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.232
local terms energy: -64.763717
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -15.834
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: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -119.294221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.294221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.294221 (E_RNA)
where:
Base-Base interactions energy: -71.766
where: short stacking energy: -33.604
Base-Backbone interact. energy: -0.379
local terms energy: -47.148545
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -98.377161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.377161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.377161 (E_RNA)
where:
Base-Base interactions energy: -42.386
where: short stacking energy: -39.145
Base-Backbone interact. energy: -0.006
local terms energy: -55.985197
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -91.582334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.582334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.582334 (E_RNA)
where:
Base-Base interactions energy: -40.624
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.355
local terms energy: -50.603177
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -89.400006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.400006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.400006 (E_RNA)
where:
Base-Base interactions energy: -40.393
where: short stacking energy: -35.171
Base-Backbone interact. energy: -0.461
local terms energy: -48.546583
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: 1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -87.062404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.062404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.062404 (E_RNA)
where:
Base-Base interactions energy: -28.907
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.044
local terms energy: -58.111640
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -220.558101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.558101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.558101 (E_RNA)
where:
Base-Base interactions energy: -139.290
where: short stacking energy: -75.689
Base-Backbone interact. energy: -0.048
local terms energy: -81.220083
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -195.906454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.906454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.906454 (E_RNA)
where:
Base-Base interactions energy: -117.816
where: short stacking energy: -61.062
Base-Backbone interact. energy: 0.066
local terms energy: -78.156592
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -174.402661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.402661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.402661 (E_RNA)
where:
Base-Base interactions energy: -103.469
where: short stacking energy: -54.899
Base-Backbone interact. energy: -0.056
local terms energy: -70.877060
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -159.217407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.217407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.217407 (E_RNA)
where:
Base-Base interactions energy: -90.248
where: short stacking energy: -41.307
Base-Backbone interact. energy: -0.006
local terms energy: -68.963527
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -172.917368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.917368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.917368 (E_RNA)
where:
Base-Base interactions energy: -109.592
where: short stacking energy: -50.932
Base-Backbone interact. energy: 0.447
local terms energy: -63.771521
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -105.937065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.937065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.937065 (E_RNA)
where:
Base-Base interactions energy: -69.817
where: short stacking energy: -38.979
Base-Backbone interact. energy: -0.320
local terms energy: -35.800539
where:
bonds (distance) C4'-P energy: -7.231
bonds (distance) P-C4' energy: -7.262
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -2.613
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -89.107176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.107176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.107176 (E_RNA)
where:
Base-Base interactions energy: -33.404
where: short stacking energy: -33.404
Base-Backbone interact. energy: 0.053
local terms energy: -55.755720
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -9.256
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: 58
Temperature: 1.250000
Total energy: -95.814767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.814767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.814767 (E_RNA)
where:
Base-Base interactions energy: -31.606
where: short stacking energy: -28.161
Base-Backbone interact. energy: -0.036
local terms energy: -64.172325
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -85.275254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.275254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.275254 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -34.981
Base-Backbone interact. energy: -0.182
local terms energy: -50.111784
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -0.861
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: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -79.331276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.331276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.331276 (E_RNA)
where:
Base-Base interactions energy: -41.029
where: short stacking energy: -41.029
Base-Backbone interact. energy: 3.078
local terms energy: -41.379703
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -203.745653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.745653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.745653 (E_RNA)
where:
Base-Base interactions energy: -127.510
where: short stacking energy: -62.385
Base-Backbone interact. energy: 0.607
local terms energy: -76.842985
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -18.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -200.044676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.044676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.044676 (E_RNA)
where:
Base-Base interactions energy: -115.910
where: short stacking energy: -64.905
Base-Backbone interact. energy: -1.955
local terms energy: -82.178989
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -216.973326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.973326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.973326 (E_RNA)
where:
Base-Base interactions energy: -138.032
where: short stacking energy: -65.614
Base-Backbone interact. energy: -0.133
local terms energy: -78.808854
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -156.223925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.223925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.223925 (E_RNA)
where:
Base-Base interactions energy: -102.288
where: short stacking energy: -32.316
Base-Backbone interact. energy: -0.538
local terms energy: -53.397892
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -154.858466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.858466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.858466 (E_RNA)
where:
Base-Base interactions energy: -89.231
where: short stacking energy: -49.955
Base-Backbone interact. energy: -0.132
local terms energy: -65.495420
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -100.037117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.037117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.037117 (E_RNA)
where:
Base-Base interactions energy: -43.400
where: short stacking energy: -43.400
Base-Backbone interact. energy: -0.117
local terms energy: -56.519818
where:
bonds (distance) C4'-P energy: -6.626
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -10.024
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: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -97.544337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.544337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.544337 (E_RNA)
where:
Base-Base interactions energy: -43.944
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.093
local terms energy: -53.506921
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -88.301227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.301227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.301227 (E_RNA)
where:
Base-Base interactions energy: -34.755
where: short stacking energy: -21.689
Base-Backbone interact. energy: 0.808
local terms energy: -54.354451
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: 2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -112.714722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.714722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.714722 (E_RNA)
where:
Base-Base interactions energy: -59.090
where: short stacking energy: -28.978
Base-Backbone interact. energy: -0.406
local terms energy: -53.219066
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -75.763175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.763175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.763175 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -35.037
Base-Backbone interact. energy: -0.110
local terms energy: -37.383599
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: 2.799
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -213.313790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.313790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.313790 (E_RNA)
where:
Base-Base interactions energy: -136.658
where: short stacking energy: -72.277
Base-Backbone interact. energy: -0.465
local terms energy: -76.191252
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -19.985
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: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -185.718851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.718851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.718851 (E_RNA)
where:
Base-Base interactions energy: -114.744
where: short stacking energy: -66.986
Base-Backbone interact. energy: -1.930
local terms energy: -69.045001
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -211.056151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.056151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.056151 (E_RNA)
where:
Base-Base interactions energy: -132.913
where: short stacking energy: -67.151
Base-Backbone interact. energy: -0.494
local terms energy: -77.649471
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -168.166974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.166974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.166974 (E_RNA)
where:
Base-Base interactions energy: -105.920
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.223
local terms energy: -62.024643
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -12.476
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: 60
Temperature: 1.100000
Total energy: -149.896462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.896462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.896462 (E_RNA)
where:
Base-Base interactions energy: -90.613
where: short stacking energy: -33.446
Base-Backbone interact. energy: -0.152
local terms energy: -59.130890
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -101.086560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.086560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.086560 (E_RNA)
where:
Base-Base interactions energy: -41.105
where: short stacking energy: -38.476
Base-Backbone interact. energy: -0.030
local terms energy: -59.951978
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -94.704262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.704262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.704262 (E_RNA)
where:
Base-Base interactions energy: -42.695
where: short stacking energy: -33.094
Base-Backbone interact. energy: 0.372
local terms energy: -52.381116
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -84.942009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.942009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.942009 (E_RNA)
where:
Base-Base interactions energy: -37.465
where: short stacking energy: -32.078
Base-Backbone interact. energy: -0.151
local terms energy: -47.325792
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -115.833482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.833482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.833482 (E_RNA)
where:
Base-Base interactions energy: -70.335
where: short stacking energy: -33.598
Base-Backbone interact. energy: -0.176
local terms energy: -45.322660
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -1.180
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: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -78.022459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.022459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.022459 (E_RNA)
where:
Base-Base interactions energy: -33.668
where: short stacking energy: -22.413
Base-Backbone interact. energy: -0.497
local terms energy: -43.857236
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: 1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -221.331265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.331265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.331265 (E_RNA)
where:
Base-Base interactions energy: -142.262
where: short stacking energy: -73.124
Base-Backbone interact. energy: -0.019
local terms energy: -79.049995
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -215.129144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.129144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.129144 (E_RNA)
where:
Base-Base interactions energy: -136.381
where: short stacking energy: -63.955
Base-Backbone interact. energy: -0.163
local terms energy: -78.585069
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -168.760696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.760696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.760696 (E_RNA)
where:
Base-Base interactions energy: -102.726
where: short stacking energy: -53.937
Base-Backbone interact. energy: -0.084
local terms energy: -65.951155
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -8.670
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: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -162.351105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.351105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.351105 (E_RNA)
where:
Base-Base interactions energy: -89.295
where: short stacking energy: -49.647
Base-Backbone interact. energy: -0.845
local terms energy: -72.211260
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -170.404394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.404394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.404394 (E_RNA)
where:
Base-Base interactions energy: -106.684
where: short stacking energy: -47.057
Base-Backbone interact. energy: -1.482
local terms energy: -62.238195
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -9.403
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: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -95.104390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.104390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.104390 (E_RNA)
where:
Base-Base interactions energy: -38.378
where: short stacking energy: -36.681
Base-Backbone interact. energy: -1.063
local terms energy: -55.664004
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -121.714071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.714071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.714071 (E_RNA)
where:
Base-Base interactions energy: -69.345
where: short stacking energy: -42.816
Base-Backbone interact. energy: -0.209
local terms energy: -52.160495
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -1.679
tors. eta vs tors. theta energy: -7.822
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: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -95.118053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.118053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.118053 (E_RNA)
where:
Base-Base interactions energy: -39.473
where: short stacking energy: -29.050
Base-Backbone interact. energy: -0.392
local terms energy: -55.252973
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -79.518446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.518446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.518446 (E_RNA)
where:
Base-Base interactions energy: -32.793
where: short stacking energy: -28.574
Base-Backbone interact. energy: -0.212
local terms energy: -46.513247
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -79.174622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.174622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.174622 (E_RNA)
where:
Base-Base interactions energy: -34.576
where: short stacking energy: -32.305
Base-Backbone interact. energy: 0.364
local terms energy: -44.962369
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -219.126377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.126377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.126377 (E_RNA)
where:
Base-Base interactions energy: -141.143
where: short stacking energy: -65.021
Base-Backbone interact. energy: -0.084
local terms energy: -77.899696
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -215.692790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.692790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.692790 (E_RNA)
where:
Base-Base interactions energy: -135.615
where: short stacking energy: -69.461
Base-Backbone interact. energy: -0.007
local terms energy: -80.070307
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -170.173654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.173654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.173654 (E_RNA)
where:
Base-Base interactions energy: -99.923
where: short stacking energy: -65.274
Base-Backbone interact. energy: -0.333
local terms energy: -69.917496
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -170.059939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.059939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.059939 (E_RNA)
where:
Base-Base interactions energy: -103.552
where: short stacking energy: -51.653
Base-Backbone interact. energy: -0.235
local terms energy: -66.273146
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -161.458351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.458351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.458351 (E_RNA)
where:
Base-Base interactions energy: -100.596
where: short stacking energy: -52.639
Base-Backbone interact. energy: -0.051
local terms energy: -60.810459
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -106.588579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.588579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.588579 (E_RNA)
where:
Base-Base interactions energy: -58.228
where: short stacking energy: -39.220
Base-Backbone interact. energy: -1.261
local terms energy: -47.100229
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -10.781
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: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -100.656266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.656266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.656266 (E_RNA)
where:
Base-Base interactions energy: -51.506
where: short stacking energy: -40.737
Base-Backbone interact. energy: -0.237
local terms energy: -48.912695
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -2.190
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -87.480162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.480162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.480162 (E_RNA)
where:
Base-Base interactions energy: -33.895
where: short stacking energy: -28.642
Base-Backbone interact. energy: -0.156
local terms energy: -53.429144
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -1.109
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -94.264216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.264216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.264216 (E_RNA)
where:
Base-Base interactions energy: -38.764
where: short stacking energy: -36.440
Base-Backbone interact. energy: -0.056
local terms energy: -55.443670
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -6.945
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: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -90.108113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.108113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.108113 (E_RNA)
where:
Base-Base interactions energy: -35.798
where: short stacking energy: -29.733
Base-Backbone interact. energy: -0.248
local terms energy: -54.061902
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -223.335604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.335604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.335604 (E_RNA)
where:
Base-Base interactions energy: -142.998
where: short stacking energy: -72.044
Base-Backbone interact. energy: -0.038
local terms energy: -80.298809
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -201.535867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.535867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.535867 (E_RNA)
where:
Base-Base interactions energy: -124.867
where: short stacking energy: -65.725
Base-Backbone interact. energy: -0.036
local terms energy: -76.633380
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -173.782957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.782957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.782957 (E_RNA)
where:
Base-Base interactions energy: -101.917
where: short stacking energy: -63.657
Base-Backbone interact. energy: -2.436
local terms energy: -69.429605
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -14.253
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: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -159.274746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.274746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.274746 (E_RNA)
where:
Base-Base interactions energy: -93.943
where: short stacking energy: -47.256
Base-Backbone interact. energy: -0.240
local terms energy: -65.092057
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -166.734430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.734430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.734430 (E_RNA)
where:
Base-Base interactions energy: -96.003
where: short stacking energy: -56.631
Base-Backbone interact. energy: -0.350
local terms energy: -70.381101
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -13.514
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: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -93.190021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.190021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.190021 (E_RNA)
where:
Base-Base interactions energy: -30.505
where: short stacking energy: -27.954
Base-Backbone interact. energy: -0.212
local terms energy: -62.473036
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -91.246088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.246088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.246088 (E_RNA)
where:
Base-Base interactions energy: -39.593
where: short stacking energy: -28.666
Base-Backbone interact. energy: -0.820
local terms energy: -50.833758
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -0.624
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -81.972225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.972225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.972225 (E_RNA)
where:
Base-Base interactions energy: -31.084
where: short stacking energy: -27.595
Base-Backbone interact. energy: -0.432
local terms energy: -50.456942
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -9.677
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: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -84.146118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.146118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.146118 (E_RNA)
where:
Base-Base interactions energy: -25.530
where: short stacking energy: -25.530
Base-Backbone interact. energy: -0.121
local terms energy: -58.495226
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -77.354433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.354433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.354433 (E_RNA)
where:
Base-Base interactions energy: -33.205
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.152
local terms energy: -43.996859
where:
bonds (distance) C4'-P energy: -7.607
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -6.460
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: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -221.805333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.805333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.805333 (E_RNA)
where:
Base-Base interactions energy: -140.545
where: short stacking energy: -67.659
Base-Backbone interact. energy: -1.844
local terms energy: -79.415733
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -12.274
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: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -208.663371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.663371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.663371 (E_RNA)
where:
Base-Base interactions energy: -133.780
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.784
local terms energy: -74.099185
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -160.686561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.686561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.686561 (E_RNA)
where:
Base-Base interactions energy: -94.006
where: short stacking energy: -54.148
Base-Backbone interact. energy: -1.187
local terms energy: -65.493968
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -162.296429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.296429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.296429 (E_RNA)
where:
Base-Base interactions energy: -95.647
where: short stacking energy: -48.237
Base-Backbone interact. energy: -1.208
local terms energy: -65.441166
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -10.631
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: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -163.697075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.697075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.697075 (E_RNA)
where:
Base-Base interactions energy: -98.971
where: short stacking energy: -44.503
Base-Backbone interact. energy: -1.010
local terms energy: -63.715378
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -11.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -90.829091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.829091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.829091 (E_RNA)
where:
Base-Base interactions energy: -39.466
where: short stacking energy: -33.766
Base-Backbone interact. energy: -0.189
local terms energy: -51.174024
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -8.076
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: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -99.386911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.386911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.386911 (E_RNA)
where:
Base-Base interactions energy: -37.320
where: short stacking energy: -32.145
Base-Backbone interact. energy: -0.066
local terms energy: -62.001339
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -103.275400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.275400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.275400 (E_RNA)
where:
Base-Base interactions energy: -53.045
where: short stacking energy: -32.045
Base-Backbone interact. energy: -0.209
local terms energy: -50.021169
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -2.273
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: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -85.564631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.564631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.564631 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -38.732
Base-Backbone interact. energy: -0.412
local terms energy: -45.422350
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -5.715
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: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -81.970550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.970550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.970550 (E_RNA)
where:
Base-Base interactions energy: -29.257
where: short stacking energy: -29.257
Base-Backbone interact. energy: 0.267
local terms energy: -52.980183
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -10.300
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: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -228.268840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.268840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.268840 (E_RNA)
where:
Base-Base interactions energy: -145.651
where: short stacking energy: -74.474
Base-Backbone interact. energy: -0.492
local terms energy: -82.125479
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -22.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -207.342066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.342066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.342066 (E_RNA)
where:
Base-Base interactions energy: -129.550
where: short stacking energy: -68.753
Base-Backbone interact. energy: -0.020
local terms energy: -77.771718
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -7.454
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: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -158.342628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.342628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.342628 (E_RNA)
where:
Base-Base interactions energy: -94.564
where: short stacking energy: -59.970
Base-Backbone interact. energy: -0.061
local terms energy: -63.717920
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -13.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -169.779898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.779898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.779898 (E_RNA)
where:
Base-Base interactions energy: -101.205
where: short stacking energy: -47.235
Base-Backbone interact. energy: -0.196
local terms energy: -68.378625
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -162.926385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.926385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.926385 (E_RNA)
where:
Base-Base interactions energy: -94.956
where: short stacking energy: -53.287
Base-Backbone interact. energy: -0.018
local terms energy: -67.952852
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -92.050160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.050160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.050160 (E_RNA)
where:
Base-Base interactions energy: -35.032
where: short stacking energy: -35.286
Base-Backbone interact. energy: 0.442
local terms energy: -57.460332
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -85.765032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765032 (E_RNA)
where:
Base-Base interactions energy: -34.744
where: short stacking energy: -34.744
Base-Backbone interact. energy: -0.020
local terms energy: -51.000432
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -6.219
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: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -85.834406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.834406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.834406 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -27.644
Base-Backbone interact. energy: -0.402
local terms energy: -51.075640
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -6.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -77.241722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.241722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.241722 (E_RNA)
where:
Base-Base interactions energy: -22.842
where: short stacking energy: -22.842
Base-Backbone interact. energy: -0.159
local terms energy: -54.241238
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -8.645
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: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -78.305030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.305030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.305030 (E_RNA)
where:
Base-Base interactions energy: -26.107
where: short stacking energy: -24.396
Base-Backbone interact. energy: -0.069
local terms energy: -52.129030
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -197.053680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.053680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.053680 (E_RNA)
where:
Base-Base interactions energy: -126.222
where: short stacking energy: -58.721
Base-Backbone interact. energy: -0.040
local terms energy: -70.792297
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -219.749860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.749860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.749860 (E_RNA)
where:
Base-Base interactions energy: -141.678
where: short stacking energy: -68.913
Base-Backbone interact. energy: -0.001
local terms energy: -78.070658
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -19.839
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: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -177.766068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.766068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.766068 (E_RNA)
where:
Base-Base interactions energy: -104.147
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.000
local terms energy: -73.618869
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -155.641670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.641670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.641670 (E_RNA)
where:
Base-Base interactions energy: -86.634
where: short stacking energy: -49.899
Base-Backbone interact. energy: 0.188
local terms energy: -69.195674
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -117.860556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.860556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.860556 (E_RNA)
where:
Base-Base interactions energy: -58.016
where: short stacking energy: -44.191
Base-Backbone interact. energy: -0.058
local terms energy: -59.786933
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -149.818903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.818903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.818903 (E_RNA)
where:
Base-Base interactions energy: -87.801
where: short stacking energy: -46.534
Base-Backbone interact. energy: -0.227
local terms energy: -61.790384
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -11.738
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: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -91.216084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.216084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.216084 (E_RNA)
where:
Base-Base interactions energy: -36.905
where: short stacking energy: -36.905
Base-Backbone interact. energy: -0.044
local terms energy: -54.266987
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -9.313
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: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -98.212712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.212712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.212712 (E_RNA)
where:
Base-Base interactions energy: -39.550
where: short stacking energy: -39.550
Base-Backbone interact. energy: -0.173
local terms energy: -58.490137
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -83.148216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.148216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.148216 (E_RNA)
where:
Base-Base interactions energy: -44.479
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.818
local terms energy: -37.850479
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -5.491
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -79.701491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.701491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.701491 (E_RNA)
where:
Base-Base interactions energy: -28.525
where: short stacking energy: -26.362
Base-Backbone interact. energy: 0.691
local terms energy: -51.868138
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -214.507984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.507984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.507984 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.055
local terms energy: -80.552411
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -226.621258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.621258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.621258 (E_RNA)
where:
Base-Base interactions energy: -146.213
where: short stacking energy: -69.484
Base-Backbone interact. energy: -1.196
local terms energy: -79.211868
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -173.758251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.758251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.758251 (E_RNA)
where:
Base-Base interactions energy: -106.702
where: short stacking energy: -51.966
Base-Backbone interact. energy: -0.541
local terms energy: -66.515405
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -122.900247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.900247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.900247 (E_RNA)
where:
Base-Base interactions energy: -61.588
where: short stacking energy: -38.540
Base-Backbone interact. energy: 0.935
local terms energy: -62.247132
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -144.552714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.552714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.552714 (E_RNA)
where:
Base-Base interactions energy: -88.670
where: short stacking energy: -43.932
Base-Backbone interact. energy: -0.094
local terms energy: -55.788431
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -92.025520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.025520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.025520 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -33.172
Base-Backbone interact. energy: 0.826
local terms energy: -59.679297
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -143.065407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.065407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.065407 (E_RNA)
where:
Base-Base interactions energy: -83.301
where: short stacking energy: -48.366
Base-Backbone interact. energy: -0.069
local terms energy: -59.694783
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -9.202
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: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -81.851645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.851645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.851645 (E_RNA)
where:
Base-Base interactions energy: -30.132
where: short stacking energy: -30.132
Base-Backbone interact. energy: -0.022
local terms energy: -51.696999
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -85.339969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.339969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.339969 (E_RNA)
where:
Base-Base interactions energy: -41.710
where: short stacking energy: -35.334
Base-Backbone interact. energy: 0.480
local terms energy: -44.110083
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -83.955128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.955128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.955128 (E_RNA)
where:
Base-Base interactions energy: -38.706
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.080
local terms energy: -45.169871
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: 1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -221.624914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.624914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.624914 (E_RNA)
where:
Base-Base interactions energy: -142.707
where: short stacking energy: -76.325
Base-Backbone interact. energy: -0.008
local terms energy: -78.910016
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -12.899
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: 68
Temperature: 0.950000
Total energy: -210.459626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.459626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.459626 (E_RNA)
where:
Base-Base interactions energy: -134.750
where: short stacking energy: -68.899
Base-Backbone interact. energy: -1.046
local terms energy: -74.663245
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -10.513
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: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -207.633839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.633839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.633839 (E_RNA)
where:
Base-Base interactions energy: -132.199
where: short stacking energy: -67.821
Base-Backbone interact. energy: -0.588
local terms energy: -74.847029
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -143.685328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.685328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.685328 (E_RNA)
where:
Base-Base interactions energy: -91.316
where: short stacking energy: -42.885
Base-Backbone interact. energy: -0.638
local terms energy: -51.731349
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -7.054
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: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -138.808547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.808547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.808547 (E_RNA)
where:
Base-Base interactions energy: -82.102
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.204
local terms energy: -56.502606
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -98.204440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.204440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.204440 (E_RNA)
where:
Base-Base interactions energy: -46.853
where: short stacking energy: -43.303
Base-Backbone interact. energy: -0.083
local terms energy: -51.268750
where:
bonds (distance) C4'-P energy: -7.143
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -9.577
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: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -151.866130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.866130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.866130 (E_RNA)
where:
Base-Base interactions energy: -87.894
where: short stacking energy: -52.996
Base-Backbone interact. energy: -0.076
local terms energy: -63.896813
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -8.417
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: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -75.879368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.879368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.879368 (E_RNA)
where:
Base-Base interactions energy: -31.101
where: short stacking energy: -30.388
Base-Backbone interact. energy: 5.717
local terms energy: -50.495621
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -3.718
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: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -80.212744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.212744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.212744 (E_RNA)
where:
Base-Base interactions energy: -32.033
where: short stacking energy: -20.652
Base-Backbone interact. energy: -0.260
local terms energy: -47.919149
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: 0.007
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: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -92.761290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.761290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.761290 (E_RNA)
where:
Base-Base interactions energy: -33.872
where: short stacking energy: -30.107
Base-Backbone interact. energy: -0.314
local terms energy: -58.575488
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -8.284
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: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -218.038802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.038802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.038802 (E_RNA)
where:
Base-Base interactions energy: -134.882
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.084
local terms energy: -83.072125
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -13.583
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: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -208.626056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.626056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.626056 (E_RNA)
where:
Base-Base interactions energy: -132.770
where: short stacking energy: -66.848
Base-Backbone interact. energy: -0.001
local terms energy: -75.855764
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -210.152559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.152559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.152559 (E_RNA)
where:
Base-Base interactions energy: -133.152
where: short stacking energy: -68.636
Base-Backbone interact. energy: -1.117
local terms energy: -75.883216
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -179.013440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.013440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.013440 (E_RNA)
where:
Base-Base interactions energy: -106.386
where: short stacking energy: -55.164
Base-Backbone interact. energy: -0.670
local terms energy: -71.957440
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -15.057
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: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -133.418688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.418688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.418688 (E_RNA)
where:
Base-Base interactions energy: -68.762
where: short stacking energy: -37.596
Base-Backbone interact. energy: -0.196
local terms energy: -64.460961
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -10.836
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: 69
Temperature: 1.150000
Total energy: -168.669173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.669173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.669173 (E_RNA)
where:
Base-Base interactions energy: -101.214
where: short stacking energy: -49.325
Base-Backbone interact. energy: 0.058
local terms energy: -67.512484
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -13.190
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: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -88.914634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.914634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.914634 (E_RNA)
where:
Base-Base interactions energy: -34.404
where: short stacking energy: -34.412
Base-Backbone interact. energy: 0.636
local terms energy: -55.145949
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -83.360959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.360959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.360959 (E_RNA)
where:
Base-Base interactions energy: -39.781
where: short stacking energy: -37.051
Base-Backbone interact. energy: -0.476
local terms energy: -43.103859
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -77.427776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.427776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.427776 (E_RNA)
where:
Base-Base interactions energy: -32.623
where: short stacking energy: -22.810
Base-Backbone interact. energy: -0.109
local terms energy: -44.695697
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: 4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -74.764492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.764492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.764492 (E_RNA)
where:
Base-Base interactions energy: -26.503
where: short stacking energy: -26.503
Base-Backbone interact. energy: -0.167
local terms energy: -48.094043
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: 0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -210.570017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.570017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.570017 (E_RNA)
where:
Base-Base interactions energy: -128.376
where: short stacking energy: -73.675
Base-Backbone interact. energy: -0.942
local terms energy: -81.252461
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.386
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: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -204.931352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.931352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.931352 (E_RNA)
where:
Base-Base interactions energy: -124.165
where: short stacking energy: -70.420
Base-Backbone interact. energy: -0.083
local terms energy: -80.683341
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -205.281496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.281496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.281496 (E_RNA)
where:
Base-Base interactions energy: -132.785
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.357
local terms energy: -72.139981
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -11.994
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: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -171.255341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.255341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.255341 (E_RNA)
where:
Base-Base interactions energy: -100.996
where: short stacking energy: -55.848
Base-Backbone interact. energy: -0.106
local terms energy: -70.152934
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -174.737352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.737352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.737352 (E_RNA)
where:
Base-Base interactions energy: -106.010
where: short stacking energy: -59.022
Base-Backbone interact. energy: -0.057
local terms energy: -68.671032
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -151.920653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.920653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.920653 (E_RNA)
where:
Base-Base interactions energy: -91.419
where: short stacking energy: -46.737
Base-Backbone interact. energy: -0.324
local terms energy: -60.177946
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -104.688784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.688784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.688784 (E_RNA)
where:
Base-Base interactions energy: -54.003
where: short stacking energy: -34.573
Base-Backbone interact. energy: -0.204
local terms energy: -50.482090
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: 1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -80.443415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.443415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.443415 (E_RNA)
where:
Base-Base interactions energy: -36.924
where: short stacking energy: -36.912
Base-Backbone interact. energy: -0.079
local terms energy: -43.440233
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -2.724
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -88.055573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.055573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.055573 (E_RNA)
where:
Base-Base interactions energy: -33.223
where: short stacking energy: -30.979
Base-Backbone interact. energy: -0.219
local terms energy: -54.613151
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -80.170073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.170073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.170073 (E_RNA)
where:
Base-Base interactions energy: -32.575
where: short stacking energy: -32.575
Base-Backbone interact. energy: -1.137
local terms energy: -46.458286
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -7.871
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -217.991439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.991439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.991439 (E_RNA)
where:
Base-Base interactions energy: -136.921
where: short stacking energy: -72.585
Base-Backbone interact. energy: -0.048
local terms energy: -81.022267
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -22.223
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -210.578878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.578878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.578878 (E_RNA)
where:
Base-Base interactions energy: -136.783
where: short stacking energy: -60.172
Base-Backbone interact. energy: 1.046
local terms energy: -74.841299
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -206.618110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.618110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.618110 (E_RNA)
where:
Base-Base interactions energy: -129.418
where: short stacking energy: -69.975
Base-Backbone interact. energy: 0.011
local terms energy: -77.210866
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -11.495
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: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -168.461986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.461986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.461986 (E_RNA)
where:
Base-Base interactions energy: -94.735
where: short stacking energy: -48.150
Base-Backbone interact. energy: -0.637
local terms energy: -73.090397
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -165.306213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.306213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.306213 (E_RNA)
where:
Base-Base interactions energy: -105.492
where: short stacking energy: -55.602
Base-Backbone interact. energy: -0.037
local terms energy: -59.777026
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -127.110244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.110244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.110244 (E_RNA)
where:
Base-Base interactions energy: -78.354
where: short stacking energy: -44.234
Base-Backbone interact. energy: 1.980
local terms energy: -50.735737
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -92.319112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.319112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.319112 (E_RNA)
where:
Base-Base interactions energy: -47.312
where: short stacking energy: -24.490
Base-Backbone interact. energy: 0.464
local terms energy: -45.470882
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -86.100317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.100317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.100317 (E_RNA)
where:
Base-Base interactions energy: -32.095
where: short stacking energy: -31.271
Base-Backbone interact. energy: -0.009
local terms energy: -53.996052
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -87.314098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.314098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.314098 (E_RNA)
where:
Base-Base interactions energy: -30.764
where: short stacking energy: -27.829
Base-Backbone interact. energy: -0.121
local terms energy: -56.429093
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -85.068794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.068794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.068794 (E_RNA)
where:
Base-Base interactions energy: -39.142
where: short stacking energy: -35.123
Base-Backbone interact. energy: -0.021
local terms energy: -45.905784
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -1.342
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: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -218.817894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.817894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.817894 (E_RNA)
where:
Base-Base interactions energy: -141.237
where: short stacking energy: -73.730
Base-Backbone interact. energy: -0.068
local terms energy: -77.512161
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -22.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -210.049304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.049304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.049304 (E_RNA)
where:
Base-Base interactions energy: -138.478
where: short stacking energy: -73.590
Base-Backbone interact. energy: -0.006
local terms energy: -71.565436
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -205.266539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.266539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.266539 (E_RNA)
where:
Base-Base interactions energy: -132.426
where: short stacking energy: -69.973
Base-Backbone interact. energy: 0.511
local terms energy: -73.352067
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -171.573619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.573619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.573619 (E_RNA)
where:
Base-Base interactions energy: -107.811
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.095
local terms energy: -63.667545
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -150.864360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.864360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.864360 (E_RNA)
where:
Base-Base interactions energy: -92.129
where: short stacking energy: -60.423
Base-Backbone interact. energy: -0.037
local terms energy: -58.698329
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -8.579
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -3.643
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: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -145.519736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.519736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.519736 (E_RNA)
where:
Base-Base interactions energy: -76.705
where: short stacking energy: -43.805
Base-Backbone interact. energy: -0.317
local terms energy: -68.497331
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -12.767
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: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -91.940750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.940750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.940750 (E_RNA)
where:
Base-Base interactions energy: -45.293
where: short stacking energy: -40.861
Base-Backbone interact. energy: -0.058
local terms energy: -46.589861
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -89.541939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.541939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.541939 (E_RNA)
where:
Base-Base interactions energy: -34.291
where: short stacking energy: -34.291
Base-Backbone interact. energy: -0.026
local terms energy: -55.224816
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -9.270
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: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -85.439554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.439554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.439554 (E_RNA)
where:
Base-Base interactions energy: -35.742
where: short stacking energy: -35.742
Base-Backbone interact. energy: -0.006
local terms energy: -49.691361
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -82.970723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.970723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.970723 (E_RNA)
where:
Base-Base interactions energy: -34.757
where: short stacking energy: -34.757
Base-Backbone interact. energy: -0.844
local terms energy: -47.369748
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -222.720509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.720509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.720509 (E_RNA)
where:
Base-Base interactions energy: -139.452
where: short stacking energy: -71.369
Base-Backbone interact. energy: -0.710
local terms energy: -82.558538
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -205.600061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.600061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.600061 (E_RNA)
where:
Base-Base interactions energy: -131.833
where: short stacking energy: -56.679
Base-Backbone interact. energy: -1.044
local terms energy: -72.722442
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -14.650
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: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -207.079446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.079446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.079446 (E_RNA)
where:
Base-Base interactions energy: -130.434
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.255
local terms energy: -76.390433
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -11.751
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: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -148.867619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.867619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.867619 (E_RNA)
where:
Base-Base interactions energy: -86.423
where: short stacking energy: -43.427
Base-Backbone interact. energy: -0.860
local terms energy: -61.584381
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -170.962430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.962430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.962430 (E_RNA)
where:
Base-Base interactions energy: -102.045
where: short stacking energy: -51.231
Base-Backbone interact. energy: -0.004
local terms energy: -68.913431
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -130.748588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.748588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.748588 (E_RNA)
where:
Base-Base interactions energy: -69.941
where: short stacking energy: -32.710
Base-Backbone interact. energy: -0.023
local terms energy: -60.784155
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -8.942
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: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -88.307636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.307636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.307636 (E_RNA)
where:
Base-Base interactions energy: -29.329
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.046
local terms energy: -58.932922
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -11.276
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -5.172
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: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -88.609556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.609556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.609556 (E_RNA)
where:
Base-Base interactions energy: -31.440
where: short stacking energy: -31.440
Base-Backbone interact. energy: -0.025
local terms energy: -57.144758
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -86.472953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.472953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.472953 (E_RNA)
where:
Base-Base interactions energy: -31.867
where: short stacking energy: -31.867
Base-Backbone interact. energy: -0.267
local terms energy: -54.338833
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -72.880224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.880224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.880224 (E_RNA)
where:
Base-Base interactions energy: -23.395
where: short stacking energy: -22.362
Base-Backbone interact. energy: -0.045
local terms energy: -49.439721
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -210.166888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.166888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.166888 (E_RNA)
where:
Base-Base interactions energy: -135.706
where: short stacking energy: -56.757
Base-Backbone interact. energy: -0.401
local terms energy: -74.060262
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -12.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -217.720623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.720623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.720623 (E_RNA)
where:
Base-Base interactions energy: -143.387
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.619
local terms energy: -73.714441
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -20.445
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: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -174.137707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.137707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.137707 (E_RNA)
where:
Base-Base interactions energy: -113.440
where: short stacking energy: -52.143
Base-Backbone interact. energy: -0.303
local terms energy: -60.394803
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -201.733947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.733947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.733947 (E_RNA)
where:
Base-Base interactions energy: -127.181
where: short stacking energy: -57.110
Base-Backbone interact. energy: -1.286
local terms energy: -73.266528
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -154.308425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.308425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.308425 (E_RNA)
where:
Base-Base interactions energy: -92.583
where: short stacking energy: -49.520
Base-Backbone interact. energy: -0.794
local terms energy: -60.930667
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -152.907183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.907183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.907183 (E_RNA)
where:
Base-Base interactions energy: -95.347
where: short stacking energy: -44.451
Base-Backbone interact. energy: -0.166
local terms energy: -57.394855
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -11.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -91.049694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.049694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.049694 (E_RNA)
where:
Base-Base interactions energy: -43.824
where: short stacking energy: -39.473
Base-Backbone interact. energy: 0.106
local terms energy: -47.331497
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -88.324318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.324318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.324318 (E_RNA)
where:
Base-Base interactions energy: -37.925
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.193
local terms energy: -50.206457
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -6.154
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -4.244
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: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -77.620356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.620356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.620356 (E_RNA)
where:
Base-Base interactions energy: -29.480
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.086
local terms energy: -48.053837
where:
bonds (distance) C4'-P energy: -7.272
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -75.445414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.445414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.445414 (E_RNA)
where:
Base-Base interactions energy: -21.289
where: short stacking energy: -21.289
Base-Backbone interact. energy: -0.171
local terms energy: -53.984976
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -213.964026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.964026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.964026 (E_RNA)
where:
Base-Base interactions energy: -139.917
where: short stacking energy: -65.683
Base-Backbone interact. energy: -0.063
local terms energy: -73.984561
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -10.099
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: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -220.149186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.149186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.149186 (E_RNA)
where:
Base-Base interactions energy: -139.464
where: short stacking energy: -74.711
Base-Backbone interact. energy: -0.038
local terms energy: -80.647598
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -175.943454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.943454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.943454 (E_RNA)
where:
Base-Base interactions energy: -96.988
where: short stacking energy: -58.744
Base-Backbone interact. energy: 0.003
local terms energy: -78.958834
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -15.165
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: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -200.891628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.891628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.891628 (E_RNA)
where:
Base-Base interactions energy: -129.682
where: short stacking energy: -70.266
Base-Backbone interact. energy: 0.978
local terms energy: -72.188002
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -163.172241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.172241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.172241 (E_RNA)
where:
Base-Base interactions energy: -97.161
where: short stacking energy: -47.255
Base-Backbone interact. energy: -0.321
local terms energy: -65.690143
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -14.335
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: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -149.193989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.193989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.193989 (E_RNA)
where:
Base-Base interactions energy: -84.007
where: short stacking energy: -49.356
Base-Backbone interact. energy: 0.589
local terms energy: -65.776442
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -101.221956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.221956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.221956 (E_RNA)
where:
Base-Base interactions energy: -56.781
where: short stacking energy: -29.579
Base-Backbone interact. energy: 0.340
local terms energy: -44.780899
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -88.133167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.133167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.133167 (E_RNA)
where:
Base-Base interactions energy: -27.166
where: short stacking energy: -27.166
Base-Backbone interact. energy: -0.501
local terms energy: -60.465963
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -6.204
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: 75
Temperature: 1.300000
Total energy: -89.538054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.538054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.538054 (E_RNA)
where:
Base-Base interactions energy: -29.532
where: short stacking energy: -29.532
Base-Backbone interact. energy: -0.038
local terms energy: -59.968035
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -66.939001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.939001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.939001 (E_RNA)
where:
Base-Base interactions energy: -28.111
where: short stacking energy: -28.111
Base-Backbone interact. energy: -0.257
local terms energy: -38.571496
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -1.944
tors. eta vs tors. theta energy: -6.837
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: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -214.858102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.858102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.858102 (E_RNA)
where:
Base-Base interactions energy: -139.307
where: short stacking energy: -62.977
Base-Backbone interact. energy: -0.058
local terms energy: -75.492945
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -215.782386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.782386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.782386 (E_RNA)
where:
Base-Base interactions energy: -141.431
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.586
local terms energy: -73.765041
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -178.951853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.951853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.951853 (E_RNA)
where:
Base-Base interactions energy: -111.498
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.274
local terms energy: -67.179079
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -193.322763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.322763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.322763 (E_RNA)
where:
Base-Base interactions energy: -122.023
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.378
local terms energy: -70.921666
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -18.056
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: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -163.258282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.258282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.258282 (E_RNA)
where:
Base-Base interactions energy: -104.634
where: short stacking energy: -48.330
Base-Backbone interact. energy: -0.055
local terms energy: -58.568486
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -167.230807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.230807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.230807 (E_RNA)
where:
Base-Base interactions energy: -104.771
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.009
local terms energy: -62.451509
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -96.644184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.644184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.644184 (E_RNA)
where:
Base-Base interactions energy: -46.110
where: short stacking energy: -30.778
Base-Backbone interact. energy: -0.040
local terms energy: -50.493620
where:
bonds (distance) C4'-P energy: -5.006
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -80.924950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.924950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.924950 (E_RNA)
where:
Base-Base interactions energy: -37.846
where: short stacking energy: -23.716
Base-Backbone interact. energy: -1.229
local terms energy: -41.849710
where:
bonds (distance) C4'-P energy: -4.363
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -82.347909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.347909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.347909 (E_RNA)
where:
Base-Base interactions energy: -28.978
where: short stacking energy: -28.978
Base-Backbone interact. energy: -0.103
local terms energy: -53.266963
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -73.895925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.895925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.895925 (E_RNA)
where:
Base-Base interactions energy: -28.584
where: short stacking energy: -24.627
Base-Backbone interact. energy: -0.441
local terms energy: -44.870788
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: 6.848
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: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -217.037099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.037099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.037099 (E_RNA)
where:
Base-Base interactions energy: -136.315
where: short stacking energy: -65.538
Base-Backbone interact. energy: -0.006
local terms energy: -80.715765
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -12.246
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: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -223.235904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.235904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.235904 (E_RNA)
where:
Base-Base interactions energy: -138.914
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.001
local terms energy: -84.320792
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -20.569
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: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -185.940297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.940297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.940297 (E_RNA)
where:
Base-Base interactions energy: -114.958
where: short stacking energy: -63.544
Base-Backbone interact. energy: -0.379
local terms energy: -70.603487
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -193.318687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.318687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.318687 (E_RNA)
where:
Base-Base interactions energy: -120.524
where: short stacking energy: -67.986
Base-Backbone interact. energy: 0.606
local terms energy: -73.401083
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -172.458413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.458413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.458413 (E_RNA)
where:
Base-Base interactions energy: -103.590
where: short stacking energy: -58.908
Base-Backbone interact. energy: -0.248
local terms energy: -68.620088
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -159.139544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.139544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.139544 (E_RNA)
where:
Base-Base interactions energy: -97.973
where: short stacking energy: -43.222
Base-Backbone interact. energy: 1.368
local terms energy: -62.534109
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -9.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -86.348233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.348233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.348233 (E_RNA)
where:
Base-Base interactions energy: -35.512
where: short stacking energy: -26.434
Base-Backbone interact. energy: 0.296
local terms energy: -51.132915
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -2.742
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -90.619269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.619269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.619269 (E_RNA)
where:
Base-Base interactions energy: -37.647
where: short stacking energy: -25.442
Base-Backbone interact. energy: -0.853
local terms energy: -52.119900
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -82.267882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.267882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.267882 (E_RNA)
where:
Base-Base interactions energy: -30.883
where: short stacking energy: -29.221
Base-Backbone interact. energy: -0.205
local terms energy: -51.179800
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -95.543671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.543671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.543671 (E_RNA)
where:
Base-Base interactions energy: -46.814
where: short stacking energy: -30.187
Base-Backbone interact. energy: -1.105
local terms energy: -47.624872
where:
bonds (distance) C4'-P energy: -6.832
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -9.004
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: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -184.268615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.268615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.268615 (E_RNA)
where:
Base-Base interactions energy: -112.492
where: short stacking energy: -65.737
Base-Backbone interact. energy: -0.002
local terms energy: -71.775087
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -11.214
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: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -205.997525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.997525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.997525 (E_RNA)
where:
Base-Base interactions energy: -135.541
where: short stacking energy: -61.111
Base-Backbone interact. energy: 0.545
local terms energy: -71.001976
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -14.174
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: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -165.707551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.707551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.707551 (E_RNA)
where:
Base-Base interactions energy: -98.680
where: short stacking energy: -63.735
Base-Backbone interact. energy: -0.007
local terms energy: -67.020253
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -167.162678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.162678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.162678 (E_RNA)
where:
Base-Base interactions energy: -95.236
where: short stacking energy: -53.098
Base-Backbone interact. energy: 0.173
local terms energy: -72.099236
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -17.714
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: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -174.203898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.203898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.203898 (E_RNA)
where:
Base-Base interactions energy: -103.558
where: short stacking energy: -61.945
Base-Backbone interact. energy: -2.978
local terms energy: -67.667733
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -19.429
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: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -157.481980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.481980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.481980 (E_RNA)
where:
Base-Base interactions energy: -95.977
where: short stacking energy: -46.684
Base-Backbone interact. energy: -0.134
local terms energy: -61.370898
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -131.263254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.263254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.263254 (E_RNA)
where:
Base-Base interactions energy: -70.498
where: short stacking energy: -32.037
Base-Backbone interact. energy: -0.186
local terms energy: -60.579596
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -89.386630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.386630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.386630 (E_RNA)
where:
Base-Base interactions energy: -43.278
where: short stacking energy: -34.549
Base-Backbone interact. energy: -0.304
local terms energy: -45.803892
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.748
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: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -77.898817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.898817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.898817 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -25.601
Base-Backbone interact. energy: -0.043
local terms energy: -47.975880
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -1.946
tors. eta vs tors. theta energy: -4.563
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: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -81.269290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.269290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.269290 (E_RNA)
where:
Base-Base interactions energy: -31.202
where: short stacking energy: -26.283
Base-Backbone interact. energy: -0.126
local terms energy: -49.941262
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -196.449170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.449170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.449170 (E_RNA)
where:
Base-Base interactions energy: -118.147
where: short stacking energy: -61.115
Base-Backbone interact. energy: -0.002
local terms energy: -78.299581
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -202.792354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.792354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.792354 (E_RNA)
where:
Base-Base interactions energy: -129.316
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.062
local terms energy: -73.414481
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -12.912
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: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -174.272172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.272172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.272172 (E_RNA)
where:
Base-Base interactions energy: -105.948
where: short stacking energy: -51.167
Base-Backbone interact. energy: -0.030
local terms energy: -68.294445
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -12.068
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: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -168.948982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.948982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.948982 (E_RNA)
where:
Base-Base interactions energy: -98.057
where: short stacking energy: -56.098
Base-Backbone interact. energy: -0.484
local terms energy: -70.407668
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -154.477237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.477237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.477237 (E_RNA)
where:
Base-Base interactions energy: -95.203
where: short stacking energy: -57.157
Base-Backbone interact. energy: -0.228
local terms energy: -59.047019
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -147.290057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.290057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.290057 (E_RNA)
where:
Base-Base interactions energy: -93.415
where: short stacking energy: -43.042
Base-Backbone interact. energy: 0.188
local terms energy: -54.062912
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -7.133
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: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -150.118429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.118429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.118429 (E_RNA)
where:
Base-Base interactions energy: -85.412
where: short stacking energy: -46.262
Base-Backbone interact. energy: -0.024
local terms energy: -64.682494
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -11.594
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: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -77.621671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.621671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.621671 (E_RNA)
where:
Base-Base interactions energy: -26.245
where: short stacking energy: -21.659
Base-Backbone interact. energy: -0.184
local terms energy: -51.192693
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -80.751249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.751249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.751249 (E_RNA)
where:
Base-Base interactions energy: -36.780
where: short stacking energy: -27.220
Base-Backbone interact. energy: -0.068
local terms energy: -43.903526
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -2.066
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -78.299338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.299338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.299338 (E_RNA)
where:
Base-Base interactions energy: -32.318
where: short stacking energy: -31.421
Base-Backbone interact. energy: -0.359
local terms energy: -45.622514
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -8.004
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -200.551232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.551232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.551232 (E_RNA)
where:
Base-Base interactions energy: -122.588
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.129
local terms energy: -77.834747
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -214.502178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.502178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.502178 (E_RNA)
where:
Base-Base interactions energy: -138.390
where: short stacking energy: -71.163
Base-Backbone interact. energy: -0.176
local terms energy: -75.936324
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -175.148901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.148901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.148901 (E_RNA)
where:
Base-Base interactions energy: -106.844
where: short stacking energy: -45.570
Base-Backbone interact. energy: -0.175
local terms energy: -68.130415
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -160.223996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.223996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.223996 (E_RNA)
where:
Base-Base interactions energy: -87.522
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.069
local terms energy: -72.632568
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -11.852
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: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -157.746169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.746169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.746169 (E_RNA)
where:
Base-Base interactions energy: -103.213
where: short stacking energy: -45.557
Base-Backbone interact. energy: 0.724
local terms energy: -55.256646
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -160.416161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.416161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.416161 (E_RNA)
where:
Base-Base interactions energy: -99.195
where: short stacking energy: -56.706
Base-Backbone interact. energy: -0.366
local terms energy: -60.854692
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -156.209220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.209220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.209220 (E_RNA)
where:
Base-Base interactions energy: -94.102
where: short stacking energy: -44.184
Base-Backbone interact. energy: 1.727
local terms energy: -63.833665
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -88.164766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.164766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.164766 (E_RNA)
where:
Base-Base interactions energy: -34.652
where: short stacking energy: -34.652
Base-Backbone interact. energy: -0.290
local terms energy: -53.222946
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -79.283758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.283758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.283758 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -29.756
Base-Backbone interact. energy: 0.046
local terms energy: -47.338343
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -10.093
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: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -80.465175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.465175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.465175 (E_RNA)
where:
Base-Base interactions energy: -40.201
where: short stacking energy: -23.328
Base-Backbone interact. energy: -0.415
local terms energy: -39.849378
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: 3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -204.041326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.041326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.041326 (E_RNA)
where:
Base-Base interactions energy: -126.997
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.094
local terms energy: -76.949850
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -20.563
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: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -222.044264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.044264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.044264 (E_RNA)
where:
Base-Base interactions energy: -140.856
where: short stacking energy: -73.098
Base-Backbone interact. energy: 0.278
local terms energy: -81.466955
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -12.705
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: 81
Temperature: 1.000000
Total energy: -177.214611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.214611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.214611 (E_RNA)
where:
Base-Base interactions energy: -112.766
where: short stacking energy: -51.163
Base-Backbone interact. energy: 0.233
local terms energy: -64.681838
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -156.387391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.387391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.387391 (E_RNA)
where:
Base-Base interactions energy: -95.962
where: short stacking energy: -54.786
Base-Backbone interact. energy: -0.282
local terms energy: -60.143297
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -153.326898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.326898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.326898 (E_RNA)
where:
Base-Base interactions energy: -99.056
where: short stacking energy: -43.353
Base-Backbone interact. energy: -0.153
local terms energy: -54.118205
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -151.076832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.076832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.076832 (E_RNA)
where:
Base-Base interactions energy: -95.613
where: short stacking energy: -43.051
Base-Backbone interact. energy: -0.179
local terms energy: -55.284426
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -144.394364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.394364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.394364 (E_RNA)
where:
Base-Base interactions energy: -87.277
where: short stacking energy: -44.096
Base-Backbone interact. energy: 1.820
local terms energy: -58.937293
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -8.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -88.267114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.267114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.267114 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -27.868
Base-Backbone interact. energy: -0.086
local terms energy: -57.505156
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -89.750431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.750431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.750431 (E_RNA)
where:
Base-Base interactions energy: -26.230
where: short stacking energy: -22.871
Base-Backbone interact. energy: -0.119
local terms energy: -63.400764
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -9.584
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: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -71.899624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.899624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.899624 (E_RNA)
where:
Base-Base interactions energy: -15.364
where: short stacking energy: -15.132
Base-Backbone interact. energy: -0.226
local terms energy: -56.309655
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: 1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -221.195043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.195043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.195043 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -73.703
Base-Backbone interact. energy: -0.830
local terms energy: -74.564788
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -211.472044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.472044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.472044 (E_RNA)
where:
Base-Base interactions energy: -134.845
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.044
local terms energy: -76.583045
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -175.770651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.770651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.770651 (E_RNA)
where:
Base-Base interactions energy: -108.648
where: short stacking energy: -62.335
Base-Backbone interact. energy: 0.265
local terms energy: -67.387124
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -167.035719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.035719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.035719 (E_RNA)
where:
Base-Base interactions energy: -95.345
where: short stacking energy: -55.138
Base-Backbone interact. energy: -0.046
local terms energy: -71.644724
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -153.981936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.981936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.981936 (E_RNA)
where:
Base-Base interactions energy: -100.662
where: short stacking energy: -44.254
Base-Backbone interact. energy: -0.070
local terms energy: -53.249925
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -156.973906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.973906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.973906 (E_RNA)
where:
Base-Base interactions energy: -100.094
where: short stacking energy: -52.436
Base-Backbone interact. energy: -0.069
local terms energy: -56.811333
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -140.606211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.606211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.606211 (E_RNA)
where:
Base-Base interactions energy: -83.929
where: short stacking energy: -47.630
Base-Backbone interact. energy: -0.184
local terms energy: -56.492920
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -84.513316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.513316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.513316 (E_RNA)
where:
Base-Base interactions energy: -33.190
where: short stacking energy: -33.190
Base-Backbone interact. energy: -0.164
local terms energy: -51.159563
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -82.336207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.336207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.336207 (E_RNA)
where:
Base-Base interactions energy: -36.766
where: short stacking energy: -26.416
Base-Backbone interact. energy: -0.097
local terms energy: -45.472530
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -7.528
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -82.185820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.185820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.185820 (E_RNA)
where:
Base-Base interactions energy: -32.810
where: short stacking energy: -24.982
Base-Backbone interact. energy: -0.606
local terms energy: -48.769246
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -4.833
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: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -224.127988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.127988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.127988 (E_RNA)
where:
Base-Base interactions energy: -142.721
where: short stacking energy: -73.710
Base-Backbone interact. energy: -0.031
local terms energy: -81.376122
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -208.132359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.132359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.132359 (E_RNA)
where:
Base-Base interactions energy: -132.881
where: short stacking energy: -60.282
Base-Backbone interact. energy: 3.032
local terms energy: -78.282820
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -12.583
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: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -165.749433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.749433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.749433 (E_RNA)
where:
Base-Base interactions energy: -95.600
where: short stacking energy: -50.173
Base-Backbone interact. energy: -0.215
local terms energy: -69.934005
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.358
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: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -173.278618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.278618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.278618 (E_RNA)
where:
Base-Base interactions energy: -107.786
where: short stacking energy: -49.711
Base-Backbone interact. energy: -0.390
local terms energy: -65.102869
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -151.568124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.568124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.568124 (E_RNA)
where:
Base-Base interactions energy: -89.131
where: short stacking energy: -51.099
Base-Backbone interact. energy: -0.580
local terms energy: -61.857285
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -8.427
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: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -149.555735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.555735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.555735 (E_RNA)
where:
Base-Base interactions energy: -83.820
where: short stacking energy: -36.050
Base-Backbone interact. energy: -0.053
local terms energy: -65.683172
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -9.102
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: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -146.688904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.688904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.688904 (E_RNA)
where:
Base-Base interactions energy: -84.381
where: short stacking energy: -44.293
Base-Backbone interact. energy: -0.439
local terms energy: -61.868473
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -75.536307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.536307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.536307 (E_RNA)
where:
Base-Base interactions energy: -21.327
where: short stacking energy: -21.327
Base-Backbone interact. energy: 0.081
local terms energy: -54.290581
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: 1.182
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: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -82.375804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.375804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.375804 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -35.240
Base-Backbone interact. energy: -0.097
local terms energy: -45.562014
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: 1.277
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -74.132083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.132083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.132083 (E_RNA)
where:
Base-Base interactions energy: -31.730
where: short stacking energy: -30.166
Base-Backbone interact. energy: -0.153
local terms energy: -42.248246
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: 1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -220.451276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.451276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.451276 (E_RNA)
where:
Base-Base interactions energy: -137.673
where: short stacking energy: -71.538
Base-Backbone interact. energy: -0.192
local terms energy: -82.586240
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -205.578591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.578591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578591 (E_RNA)
where:
Base-Base interactions energy: -137.521
where: short stacking energy: -63.792
Base-Backbone interact. energy: -0.549
local terms energy: -67.508559
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -173.605481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.605481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.605481 (E_RNA)
where:
Base-Base interactions energy: -105.602
where: short stacking energy: -61.670
Base-Backbone interact. energy: -0.113
local terms energy: -67.890632
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -163.806501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.806501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.806501 (E_RNA)
where:
Base-Base interactions energy: -96.931
where: short stacking energy: -52.432
Base-Backbone interact. energy: -0.086
local terms energy: -66.789680
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -163.034733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.034733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.034733 (E_RNA)
where:
Base-Base interactions energy: -102.687
where: short stacking energy: -54.209
Base-Backbone interact. energy: -0.335
local terms energy: -60.012015
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -9.706
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -150.215611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.215611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.215611 (E_RNA)
where:
Base-Base interactions energy: -86.866
where: short stacking energy: -46.607
Base-Backbone interact. energy: -0.138
local terms energy: -63.211963
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -6.956
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: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -136.302504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.302504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.302504 (E_RNA)
where:
Base-Base interactions energy: -81.225
where: short stacking energy: -41.950
Base-Backbone interact. energy: -0.093
local terms energy: -54.984166
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -95.309958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.309958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.309958 (E_RNA)
where:
Base-Base interactions energy: -42.344
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.181
local terms energy: -52.785047
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -88.070841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.070841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.070841 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -24.430
Base-Backbone interact. energy: 0.048
local terms energy: -52.192060
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -2.695
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: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -73.581580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.581580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.581580 (E_RNA)
where:
Base-Base interactions energy: -25.748
where: short stacking energy: -16.570
Base-Backbone interact. energy: -0.176
local terms energy: -47.656689
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -221.788129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.788129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.788129 (E_RNA)
where:
Base-Base interactions energy: -143.210
where: short stacking energy: -75.600
Base-Backbone interact. energy: -0.026
local terms energy: -78.552652
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -174.505609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.505609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.505609 (E_RNA)
where:
Base-Base interactions energy: -104.515
where: short stacking energy: -56.181
Base-Backbone interact. energy: -0.067
local terms energy: -69.923225
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -189.988350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.988350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.988350 (E_RNA)
where:
Base-Base interactions energy: -119.310
where: short stacking energy: -70.790
Base-Backbone interact. energy: -0.041
local terms energy: -70.636622
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -188.135886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.135886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.135886 (E_RNA)
where:
Base-Base interactions energy: -112.466
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.717
local terms energy: -74.952793
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -158.993169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.993169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.993169 (E_RNA)
where:
Base-Base interactions energy: -89.284
where: short stacking energy: -51.507
Base-Backbone interact. energy: -0.127
local terms energy: -69.581441
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -11.880
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: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -145.040224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.040224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.040224 (E_RNA)
where:
Base-Base interactions energy: -84.026
where: short stacking energy: -45.285
Base-Backbone interact. energy: -0.212
local terms energy: -60.801989
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -7.697
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: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -119.911215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.911215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.911215 (E_RNA)
where:
Base-Base interactions energy: -70.640
where: short stacking energy: -43.939
Base-Backbone interact. energy: -0.004
local terms energy: -49.266898
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -9.301
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -96.290783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.290783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.290783 (E_RNA)
where:
Base-Base interactions energy: -41.485
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.002
local terms energy: -54.804165
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -72.641642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.641642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.641642 (E_RNA)
where:
Base-Base interactions energy: -24.274
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.089
local terms energy: -48.278168
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -86.256301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.256301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.256301 (E_RNA)
where:
Base-Base interactions energy: -34.088
where: short stacking energy: -27.665
Base-Backbone interact. energy: -0.422
local terms energy: -51.745767
where:
bonds (distance) C4'-P energy: -7.557
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -225.043990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.043990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.043990 (E_RNA)
where:
Base-Base interactions energy: -142.588
where: short stacking energy: -73.209
Base-Backbone interact. energy: -0.002
local terms energy: -82.454232
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -24.222
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -195.600772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.600772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.600772 (E_RNA)
where:
Base-Base interactions energy: -121.991
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.371
local terms energy: -73.239412
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -205.607019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.607019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.607019 (E_RNA)
where:
Base-Base interactions energy: -129.213
where: short stacking energy: -72.292
Base-Backbone interact. energy: 0.322
local terms energy: -76.716257
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -179.812417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.812417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.812417 (E_RNA)
where:
Base-Base interactions energy: -114.166
where: short stacking energy: -59.888
Base-Backbone interact. energy: -0.042
local terms energy: -65.604360
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -173.597277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.597277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.597277 (E_RNA)
where:
Base-Base interactions energy: -108.074
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.646
local terms energy: -64.877689
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -121.672100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.672100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.672100 (E_RNA)
where:
Base-Base interactions energy: -69.701
where: short stacking energy: -38.603
Base-Backbone interact. energy: -0.209
local terms energy: -51.762549
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -89.706559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.706559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.706559 (E_RNA)
where:
Base-Base interactions energy: -30.866
where: short stacking energy: -30.243
Base-Backbone interact. energy: -0.234
local terms energy: -58.606029
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -107.381685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.381685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.381685 (E_RNA)
where:
Base-Base interactions energy: -52.965
where: short stacking energy: -44.116
Base-Backbone interact. energy: 3.339
local terms energy: -57.755545
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -10.607
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -86.837095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.837095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.837095 (E_RNA)
where:
Base-Base interactions energy: -33.980
where: short stacking energy: -32.748
Base-Backbone interact. energy: -0.007
local terms energy: -52.849919
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -6.990
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: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -89.415741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.415741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.415741 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -32.997
Base-Backbone interact. energy: -0.134
local terms energy: -51.757494
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -7.300
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: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -221.419599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.419599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.419599 (E_RNA)
where:
Base-Base interactions energy: -144.190
where: short stacking energy: -75.218
Base-Backbone interact. energy: -0.028
local terms energy: -77.201906
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -205.855483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.855483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.855483 (E_RNA)
where:
Base-Base interactions energy: -132.126
where: short stacking energy: -69.684
Base-Backbone interact. energy: -0.592
local terms energy: -73.137919
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -196.065377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.065377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.065377 (E_RNA)
where:
Base-Base interactions energy: -116.632
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.000
local terms energy: -79.432975
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -21.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -167.152280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.152280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.152280 (E_RNA)
where:
Base-Base interactions energy: -103.410
where: short stacking energy: -55.567
Base-Backbone interact. energy: -0.014
local terms energy: -63.728229
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -174.782032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.782032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.782032 (E_RNA)
where:
Base-Base interactions energy: -110.821
where: short stacking energy: -59.428
Base-Backbone interact. energy: -0.088
local terms energy: -63.872663
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.636
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: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -110.736619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.736619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.736619 (E_RNA)
where:
Base-Base interactions energy: -55.419
where: short stacking energy: -40.597
Base-Backbone interact. energy: -0.276
local terms energy: -55.041423
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -11.412
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: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -95.651795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.651795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.651795 (E_RNA)
where:
Base-Base interactions energy: -32.884
where: short stacking energy: -30.960
Base-Backbone interact. energy: -0.122
local terms energy: -62.645450
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -11.865
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: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -85.722114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.722114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.722114 (E_RNA)
where:
Base-Base interactions energy: -30.812
where: short stacking energy: -29.789
Base-Backbone interact. energy: -0.136
local terms energy: -54.774402
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -82.841900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.841900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.841900 (E_RNA)
where:
Base-Base interactions energy: -40.957
where: short stacking energy: -26.958
Base-Backbone interact. energy: -1.136
local terms energy: -40.749724
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -2.818
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -78.254079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.254079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.254079 (E_RNA)
where:
Base-Base interactions energy: -35.004
where: short stacking energy: -30.922
Base-Backbone interact. energy: -0.039
local terms energy: -43.211358
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -8.532
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -221.114603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.114603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.114603 (E_RNA)
where:
Base-Base interactions energy: -141.932
where: short stacking energy: -73.383
Base-Backbone interact. energy: -0.083
local terms energy: -79.099373
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -208.565225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.565225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.565225 (E_RNA)
where:
Base-Base interactions energy: -136.799
where: short stacking energy: -72.602
Base-Backbone interact. energy: -0.526
local terms energy: -71.239590
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -20.522
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: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -189.375223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.375223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.375223 (E_RNA)
where:
Base-Base interactions energy: -115.150
where: short stacking energy: -59.810
Base-Backbone interact. energy: -0.126
local terms energy: -74.099585
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -7.195
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: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -160.975419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.975419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.975419 (E_RNA)
where:
Base-Base interactions energy: -100.861
where: short stacking energy: -28.500
Base-Backbone interact. energy: -0.621
local terms energy: -59.493541
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -180.105537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.105537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.105537 (E_RNA)
where:
Base-Base interactions energy: -118.781
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.248
local terms energy: -61.076069
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -8.740
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -111.973486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.973486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.973486 (E_RNA)
where:
Base-Base interactions energy: -50.448
where: short stacking energy: -48.212
Base-Backbone interact. energy: -0.371
local terms energy: -61.155247
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -94.492384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.492384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.492384 (E_RNA)
where:
Base-Base interactions energy: -38.626
where: short stacking energy: -37.285
Base-Backbone interact. energy: -0.105
local terms energy: -55.761582
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -81.919554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.919554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.919554 (E_RNA)
where:
Base-Base interactions energy: -31.728
where: short stacking energy: -31.728
Base-Backbone interact. energy: -0.107
local terms energy: -50.084713
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.307
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: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -79.676399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.676399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.676399 (E_RNA)
where:
Base-Base interactions energy: -35.591
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.794
local terms energy: -43.291291
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -0.417
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -77.435336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.435336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.435336 (E_RNA)
where:
Base-Base interactions energy: -30.033
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.917
local terms energy: -46.485684
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: 1.106
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: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -221.474653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.474653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.474653 (E_RNA)
where:
Base-Base interactions energy: -145.204
where: short stacking energy: -76.397
Base-Backbone interact. energy: -0.070
local terms energy: -76.200162
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -183.819975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.819975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.819975 (E_RNA)
where:
Base-Base interactions energy: -109.468
where: short stacking energy: -54.838
Base-Backbone interact. energy: -0.005
local terms energy: -74.347387
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -14.519
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: 89
Temperature: 1.000000
Total energy: -205.050734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.050734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.050734 (E_RNA)
where:
Base-Base interactions energy: -129.482
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.246
local terms energy: -75.322493
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -9.376
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: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -185.877163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.877163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.877163 (E_RNA)
where:
Base-Base interactions energy: -115.849
where: short stacking energy: -55.399
Base-Backbone interact. energy: -0.007
local terms energy: -70.020588
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -18.582
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: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -174.198826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.198826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.198826 (E_RNA)
where:
Base-Base interactions energy: -117.221
where: short stacking energy: -56.401
Base-Backbone interact. energy: -0.087
local terms energy: -56.890538
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -8.631
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -10.135
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: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -103.761702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.761702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.761702 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -43.565
Base-Backbone interact. energy: -0.091
local terms energy: -57.782081
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -86.773718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.773718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.773718 (E_RNA)
where:
Base-Base interactions energy: -33.705
where: short stacking energy: -22.855
Base-Backbone interact. energy: -0.355
local terms energy: -52.713743
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -5.004
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: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -90.104433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.104433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.104433 (E_RNA)
where:
Base-Base interactions energy: -40.670
where: short stacking energy: -24.822
Base-Backbone interact. energy: 0.108
local terms energy: -49.542454
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -11.697
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: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -88.734846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.734846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.734846 (E_RNA)
where:
Base-Base interactions energy: -36.194
where: short stacking energy: -36.194
Base-Backbone interact. energy: 0.140
local terms energy: -52.680538
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -9.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -74.778915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.778915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.778915 (E_RNA)
where:
Base-Base interactions energy: -21.212
where: short stacking energy: -21.212
Base-Backbone interact. energy: -0.015
local terms energy: -53.552607
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -223.658712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.658712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.658712 (E_RNA)
where:
Base-Base interactions energy: -142.164
where: short stacking energy: -72.468
Base-Backbone interact. energy: -0.016
local terms energy: -81.478489
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -192.607372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.607372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.607372 (E_RNA)
where:
Base-Base interactions energy: -110.687
where: short stacking energy: -70.291
Base-Backbone interact. energy: -3.057
local terms energy: -78.863689
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -213.058757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.058757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.058757 (E_RNA)
where:
Base-Base interactions energy: -134.165
where: short stacking energy: -70.258
Base-Backbone interact. energy: -0.022
local terms energy: -78.871578
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -176.348832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.348832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.348832 (E_RNA)
where:
Base-Base interactions energy: -101.404
where: short stacking energy: -51.253
Base-Backbone interact. energy: -0.046
local terms energy: -74.898520
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -194.875715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.875715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.875715 (E_RNA)
where:
Base-Base interactions energy: -127.884
where: short stacking energy: -50.007
Base-Backbone interact. energy: -0.130
local terms energy: -66.861154
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -13.465
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: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -127.230270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.230270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.230270 (E_RNA)
where:
Base-Base interactions energy: -64.869
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.001
local terms energy: -62.360020
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -8.102
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -17.718
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: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -95.510240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.510240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.510240 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -38.845
Base-Backbone interact. energy: -0.449
local terms energy: -56.216447
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -5.095
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: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -77.788453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.788453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.788453 (E_RNA)
where:
Base-Base interactions energy: -34.022
where: short stacking energy: -28.431
Base-Backbone interact. energy: 0.606
local terms energy: -44.372170
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -1.267
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: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -85.638555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.638555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.638555 (E_RNA)
where:
Base-Base interactions energy: -33.071
where: short stacking energy: -33.071
Base-Backbone interact. energy: -0.107
local terms energy: -52.459953
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -75.061191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.061191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.061191 (E_RNA)
where:
Base-Base interactions energy: -27.062
where: short stacking energy: -16.599
Base-Backbone interact. energy: -0.283
local terms energy: -47.715342
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -220.722229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.722229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.722229 (E_RNA)
where:
Base-Base interactions energy: -137.698
where: short stacking energy: -73.004
Base-Backbone interact. energy: -0.592
local terms energy: -82.431379
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -211.841607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.841607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.841607 (E_RNA)
where:
Base-Base interactions energy: -139.238
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.066
local terms energy: -72.537113
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -204.056633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.056633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.056633 (E_RNA)
where:
Base-Base interactions energy: -125.848
where: short stacking energy: -70.054
Base-Backbone interact. energy: -0.011
local terms energy: -78.197305
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -19.945
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: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -172.366165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.366165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.366165 (E_RNA)
where:
Base-Base interactions energy: -104.874
where: short stacking energy: -55.951
Base-Backbone interact. energy: -0.011
local terms energy: -67.481362
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -11.483
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: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -155.982373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.982373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.982373 (E_RNA)
where:
Base-Base interactions energy: -95.453
where: short stacking energy: -56.078
Base-Backbone interact. energy: 0.172
local terms energy: -60.700995
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -12.345
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: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -152.463124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.463124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.463124 (E_RNA)
where:
Base-Base interactions energy: -87.099
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.011
local terms energy: -65.352345
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -97.335579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.335579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.335579 (E_RNA)
where:
Base-Base interactions energy: -36.614
where: short stacking energy: -32.995
Base-Backbone interact. energy: -0.935
local terms energy: -59.785957
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -7.198
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: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -87.063951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.063951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.063951 (E_RNA)
where:
Base-Base interactions energy: -35.317
where: short stacking energy: -27.108
Base-Backbone interact. energy: -1.049
local terms energy: -50.698269
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -83.387263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.387263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.387263 (E_RNA)
where:
Base-Base interactions energy: -38.257
where: short stacking energy: -33.212
Base-Backbone interact. energy: -0.089
local terms energy: -45.040990
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: 1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -83.769797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.769797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.769797 (E_RNA)
where:
Base-Base interactions energy: -26.224
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.617
local terms energy: -56.928624
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -204.325685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.325685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.325685 (E_RNA)
where:
Base-Base interactions energy: -137.682
where: short stacking energy: -53.092
Base-Backbone interact. energy: -0.049
local terms energy: -66.594583
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -219.017456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.017456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.017456 (E_RNA)
where:
Base-Base interactions energy: -144.663
where: short stacking energy: -74.907
Base-Backbone interact. energy: -0.666
local terms energy: -73.688715
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -12.152
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: 92
Temperature: 1.000000
Total energy: -177.973473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.973473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.973473 (E_RNA)
where:
Base-Base interactions energy: -106.507
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.109
local terms energy: -71.356765
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -174.689628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.689628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.689628 (E_RNA)
where:
Base-Base interactions energy: -106.859
where: short stacking energy: -51.298
Base-Backbone interact. energy: -0.346
local terms energy: -67.484236
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -15.066
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: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -164.707242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.707242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.707242 (E_RNA)
where:
Base-Base interactions energy: -101.613
where: short stacking energy: -58.001
Base-Backbone interact. energy: -0.164
local terms energy: -62.930602
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -163.270344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.270344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.270344 (E_RNA)
where:
Base-Base interactions energy: -99.935
where: short stacking energy: -53.203
Base-Backbone interact. energy: 0.355
local terms energy: -63.690228
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -89.970040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.970040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.970040 (E_RNA)
where:
Base-Base interactions energy: -32.284
where: short stacking energy: -26.467
Base-Backbone interact. energy: -0.156
local terms energy: -57.530301
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -80.032361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.032361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.032361 (E_RNA)
where:
Base-Base interactions energy: -30.364
where: short stacking energy: -25.237
Base-Backbone interact. energy: 0.823
local terms energy: -50.491250
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.167
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: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -76.653444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.653444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.653444 (E_RNA)
where:
Base-Base interactions energy: -21.892
where: short stacking energy: -18.672
Base-Backbone interact. energy: -0.101
local terms energy: -54.659922
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -82.976073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.976073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.976073 (E_RNA)
where:
Base-Base interactions energy: -32.315
where: short stacking energy: -32.315
Base-Backbone interact. energy: -0.109
local terms energy: -50.551889
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -6.511
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: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -216.186088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.186088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.186088 (E_RNA)
where:
Base-Base interactions energy: -146.006
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.372
local terms energy: -69.808221
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -219.548017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.548017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.548017 (E_RNA)
where:
Base-Base interactions energy: -141.169
where: short stacking energy: -73.557
Base-Backbone interact. energy: -0.241
local terms energy: -78.138651
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -21.489
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: 93
Temperature: 1.000000
Total energy: -185.166832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.166832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.166832 (E_RNA)
where:
Base-Base interactions energy: -116.236
where: short stacking energy: -56.296
Base-Backbone interact. energy: -0.099
local terms energy: -68.832075
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.060
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: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -182.148215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.148215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.148215 (E_RNA)
where:
Base-Base interactions energy: -107.439
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.029
local terms energy: -74.679927
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -177.205040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.205040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.205040 (E_RNA)
where:
Base-Base interactions energy: -112.364
where: short stacking energy: -51.656
Base-Backbone interact. energy: -0.109
local terms energy: -64.731664
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -146.277662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.277662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.277662 (E_RNA)
where:
Base-Base interactions energy: -83.409
where: short stacking energy: -36.173
Base-Backbone interact. energy: -0.682
local terms energy: -62.186362
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -10.254
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: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -92.769623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.769623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.769623 (E_RNA)
where:
Base-Base interactions energy: -47.618
where: short stacking energy: -23.923
Base-Backbone interact. energy: 0.664
local terms energy: -45.815622
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: 4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -83.213462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.213462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.213462 (E_RNA)
where:
Base-Base interactions energy: -37.159
where: short stacking energy: -31.588
Base-Backbone interact. energy: -0.017
local terms energy: -46.037682
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -88.200887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.200887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.200887 (E_RNA)
where:
Base-Base interactions energy: -45.461
where: short stacking energy: -26.561
Base-Backbone interact. energy: -0.564
local terms energy: -42.176281
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -9.655
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -78.005174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.005174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.005174 (E_RNA)
where:
Base-Base interactions energy: -30.806
where: short stacking energy: -17.928
Base-Backbone interact. energy: -0.313
local terms energy: -46.885885
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -1.652
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: 94
Temperature: 0.900000
Total energy: -221.265674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.265674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.265674 (E_RNA)
where:
Base-Base interactions energy: -149.511
where: short stacking energy: -60.442
Base-Backbone interact. energy: -0.254
local terms energy: -71.500967
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -217.539186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.539186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.539186 (E_RNA)
where:
Base-Base interactions energy: -139.353
where: short stacking energy: -73.964
Base-Backbone interact. energy: -0.081
local terms energy: -78.105835
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -177.535599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.535599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.535599 (E_RNA)
where:
Base-Base interactions energy: -113.153
where: short stacking energy: -45.872
Base-Backbone interact. energy: -1.065
local terms energy: -63.318057
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -179.662628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.662628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.662628 (E_RNA)
where:
Base-Base interactions energy: -111.230
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.014
local terms energy: -68.418222
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -167.915869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.915869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.915869 (E_RNA)
where:
Base-Base interactions energy: -110.670
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.105
local terms energy: -57.141102
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -130.206173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.206173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.206173 (E_RNA)
where:
Base-Base interactions energy: -74.359
where: short stacking energy: -38.399
Base-Backbone interact. energy: -0.095
local terms energy: -55.752675
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -86.643420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.643420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.643420 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.035
local terms energy: -56.537825
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -92.905217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.905217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.905217 (E_RNA)
where:
Base-Base interactions energy: -46.426
where: short stacking energy: -35.218
Base-Backbone interact. energy: -0.127
local terms energy: -46.352456
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -7.222
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -90.445241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.445241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.445241 (E_RNA)
where:
Base-Base interactions energy: -47.831
where: short stacking energy: -39.298
Base-Backbone interact. energy: -0.175
local terms energy: -42.439297
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -70.791383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.791383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.791383 (E_RNA)
where:
Base-Base interactions energy: -20.462
where: short stacking energy: -20.462
Base-Backbone interact. energy: -1.003
local terms energy: -49.325999
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -9.329
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -224.596421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596421 (E_RNA)
where:
Base-Base interactions energy: -149.971
where: short stacking energy: -58.506
Base-Backbone interact. energy: -0.026
local terms energy: -74.599457
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -20.364
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: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -219.625918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.625918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.625918 (E_RNA)
where:
Base-Base interactions energy: -143.465
where: short stacking energy: -79.794
Base-Backbone interact. energy: -0.017
local terms energy: -76.144759
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -177.470579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.470579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.470579 (E_RNA)
where:
Base-Base interactions energy: -115.749
where: short stacking energy: -50.155
Base-Backbone interact. energy: -0.039
local terms energy: -61.681872
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -160.130182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.130182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.130182 (E_RNA)
where:
Base-Base interactions energy: -97.007
where: short stacking energy: -45.758
Base-Backbone interact. energy: 0.539
local terms energy: -63.662633
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -167.461950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.461950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.461950 (E_RNA)
where:
Base-Base interactions energy: -95.142
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.003
local terms energy: -72.317585
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -144.851275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.851275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.851275 (E_RNA)
where:
Base-Base interactions energy: -85.379
where: short stacking energy: -50.096
Base-Backbone interact. energy: 0.894
local terms energy: -60.366992
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -93.937885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.937885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.937885 (E_RNA)
where:
Base-Base interactions energy: -44.123
where: short stacking energy: -35.431
Base-Backbone interact. energy: -0.003
local terms energy: -49.811832
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -96.872783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.872783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.872783 (E_RNA)
where:
Base-Base interactions energy: -43.152
where: short stacking energy: -34.879
Base-Backbone interact. energy: 1.165
local terms energy: -54.885683
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -5.164
flat angles P-C4'-P energy: -12.121
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: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -90.590581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.590581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.590581 (E_RNA)
where:
Base-Base interactions energy: -42.954
where: short stacking energy: -25.574
Base-Backbone interact. energy: -1.387
local terms energy: -46.249058
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -71.277272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.277272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.277272 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -26.443
Base-Backbone interact. energy: -0.478
local terms energy: -40.333757
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -225.834875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.834875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.834875 (E_RNA)
where:
Base-Base interactions energy: -149.822
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.060
local terms energy: -75.953147
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -21.839
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: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -220.006012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.006012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.006012 (E_RNA)
where:
Base-Base interactions energy: -137.418
where: short stacking energy: -78.336
Base-Backbone interact. energy: -0.291
local terms energy: -82.297495
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -194.011245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.011245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.011245 (E_RNA)
where:
Base-Base interactions energy: -124.716
where: short stacking energy: -63.434
Base-Backbone interact. energy: -0.302
local terms energy: -68.993158
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -169.771185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.771185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.771185 (E_RNA)
where:
Base-Base interactions energy: -108.773
where: short stacking energy: -52.704
Base-Backbone interact. energy: -0.058
local terms energy: -60.940199
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -186.291454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.291454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.291454 (E_RNA)
where:
Base-Base interactions energy: -115.101
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.046
local terms energy: -71.144756
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -11.593
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: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -110.392136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.392136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.392136 (E_RNA)
where:
Base-Base interactions energy: -59.372
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.079
local terms energy: -50.941347
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -92.862141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.862141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.862141 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -35.734
Base-Backbone interact. energy: -0.434
local terms energy: -53.286766
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -84.164046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164046 (E_RNA)
where:
Base-Base interactions energy: -36.472
where: short stacking energy: -24.673
Base-Backbone interact. energy: 1.382
local terms energy: -49.074219
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -83.255879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.255879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.255879 (E_RNA)
where:
Base-Base interactions energy: -36.199
where: short stacking energy: -25.887
Base-Backbone interact. energy: -0.838
local terms energy: -46.218485
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -72.558528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.558528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.558528 (E_RNA)
where:
Base-Base interactions energy: -24.615
where: short stacking energy: -19.189
Base-Backbone interact. energy: -0.317
local terms energy: -47.626343
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -224.563284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.563284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.563284 (E_RNA)
where:
Base-Base interactions energy: -142.709
where: short stacking energy: -65.784
Base-Backbone interact. energy: 0.647
local terms energy: -82.501333
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -18.698
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: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -221.694074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.694074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.694074 (E_RNA)
where:
Base-Base interactions energy: -150.070
where: short stacking energy: -73.249
Base-Backbone interact. energy: -0.489
local terms energy: -71.135332
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -192.156828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.156828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.156828 (E_RNA)
where:
Base-Base interactions energy: -120.043
where: short stacking energy: -65.094
Base-Backbone interact. energy: 1.675
local terms energy: -73.788678
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -188.774008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.774008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.774008 (E_RNA)
where:
Base-Base interactions energy: -126.031
where: short stacking energy: -61.730
Base-Backbone interact. energy: 1.003
local terms energy: -63.745952
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -14.245
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: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -160.833267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.833267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.833267 (E_RNA)
where:
Base-Base interactions energy: -91.301
where: short stacking energy: -49.288
Base-Backbone interact. energy: -0.503
local terms energy: -69.028407
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -116.255272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.255272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.255272 (E_RNA)
where:
Base-Base interactions energy: -58.178
where: short stacking energy: -32.204
Base-Backbone interact. energy: -0.239
local terms energy: -57.838128
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -83.750329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.750329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.750329 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -29.655
Base-Backbone interact. energy: -0.448
local terms energy: -51.057362
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.617
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: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -89.701258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.701258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.701258 (E_RNA)
where:
Base-Base interactions energy: -40.966
where: short stacking energy: -40.966
Base-Backbone interact. energy: 3.701
local terms energy: -52.436006
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -87.008707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.008707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.008707 (E_RNA)
where:
Base-Base interactions energy: -38.038
where: short stacking energy: -18.608
Base-Backbone interact. energy: -0.043
local terms energy: -48.927797
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -75.311549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.311549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.311549 (E_RNA)
where:
Base-Base interactions energy: -31.280
where: short stacking energy: -25.255
Base-Backbone interact. energy: -0.562
local terms energy: -43.469957
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -219.654505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.654505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.654505 (E_RNA)
where:
Base-Base interactions energy: -141.931
where: short stacking energy: -66.848
Base-Backbone interact. energy: -0.330
local terms energy: -77.393929
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -20.524
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: 98
Temperature: 0.950000
Total energy: -216.305942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.305942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.305942 (E_RNA)
where:
Base-Base interactions energy: -143.342
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.048
local terms energy: -72.916253
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -204.986705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.986705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.986705 (E_RNA)
where:
Base-Base interactions energy: -134.577
where: short stacking energy: -75.322
Base-Backbone interact. energy: -0.579
local terms energy: -69.830288
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -10.105
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: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -172.023168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.023168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.023168 (E_RNA)
where:
Base-Base interactions energy: -95.782
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.212
local terms energy: -76.029767
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -106.755691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.755691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.755691 (E_RNA)
where:
Base-Base interactions energy: -52.074
where: short stacking energy: -40.407
Base-Backbone interact. energy: 1.262
local terms energy: -55.943749
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -175.085693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.085693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.085693 (E_RNA)
where:
Base-Base interactions energy: -107.923
where: short stacking energy: -53.373
Base-Backbone interact. energy: -0.083
local terms energy: -67.079172
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -82.140976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.140976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.140976 (E_RNA)
where:
Base-Base interactions energy: -34.389
where: short stacking energy: -31.113
Base-Backbone interact. energy: -0.048
local terms energy: -47.703787
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -7.985
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: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -93.678366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.678366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.678366 (E_RNA)
where:
Base-Base interactions energy: -36.104
where: short stacking energy: -36.104
Base-Backbone interact. energy: 2.053
local terms energy: -59.627328
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -81.596561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.596561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.596561 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.096
local terms energy: -52.062472
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -75.115570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.115570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.115570 (E_RNA)
where:
Base-Base interactions energy: -38.193
where: short stacking energy: -24.695
Base-Backbone interact. energy: 1.909
local terms energy: -38.831119
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -0.853
tors. eta vs tors. theta energy: 1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -225.661547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.661547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.661547 (E_RNA)
where:
Base-Base interactions energy: -144.414
where: short stacking energy: -72.910
Base-Backbone interact. energy: -1.684
local terms energy: -79.563343
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -21.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -212.502899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.502899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.502899 (E_RNA)
where:
Base-Base interactions energy: -140.909
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.114
local terms energy: -71.479899
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -12.317
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: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -196.619453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.619453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.619453 (E_RNA)
where:
Base-Base interactions energy: -132.390
where: short stacking energy: -55.191
Base-Backbone interact. energy: -0.010
local terms energy: -64.219343
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -174.065765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.065765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.065765 (E_RNA)
where:
Base-Base interactions energy: -105.177
where: short stacking energy: -60.024
Base-Backbone interact. energy: -0.057
local terms energy: -68.831983
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -105.650891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.650891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.650891 (E_RNA)
where:
Base-Base interactions energy: -42.193
where: short stacking energy: -42.193
Base-Backbone interact. energy: -0.005
local terms energy: -63.452880
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -158.495084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.495084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.495084 (E_RNA)
where:
Base-Base interactions energy: -97.892
where: short stacking energy: -46.169
Base-Backbone interact. energy: -0.418
local terms energy: -60.185112
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -101.815539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.815539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.815539 (E_RNA)
where:
Base-Base interactions energy: -63.683
where: short stacking energy: -41.036
Base-Backbone interact. energy: 0.421
local terms energy: -38.554349
where:
bonds (distance) C4'-P energy: -5.906
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -4.355
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -97.744523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.744523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.744523 (E_RNA)
where:
Base-Base interactions energy: -30.553
where: short stacking energy: -30.553
Base-Backbone interact. energy: -0.026
local terms energy: -67.166117
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -11.047
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: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -80.435724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.435724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.435724 (E_RNA)
where:
Base-Base interactions energy: -24.336
where: short stacking energy: -23.731
Base-Backbone interact. energy: -0.112
local terms energy: -55.988051
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -69.904331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.904331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.904331 (E_RNA)
where:
Base-Base interactions energy: -28.804
where: short stacking energy: -28.804
Base-Backbone interact. energy: -0.579
local terms energy: -40.521483
where:
bonds (distance) C4'-P energy: -7.023
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -224.717797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.717797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.717797 (E_RNA)
where:
Base-Base interactions energy: -143.127
where: short stacking energy: -75.856
Base-Backbone interact. energy: -0.092
local terms energy: -81.499102
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -210.648110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.648110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.648110 (E_RNA)
where:
Base-Base interactions energy: -137.030
where: short stacking energy: -57.803
Base-Backbone interact. energy: -0.869
local terms energy: -72.748550
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -199.056679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.056679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.056679 (E_RNA)
where:
Base-Base interactions energy: -127.515
where: short stacking energy: -55.426
Base-Backbone interact. energy: -0.645
local terms energy: -70.896853
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -172.073100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.073100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.073100 (E_RNA)
where:
Base-Base interactions energy: -103.744
where: short stacking energy: -51.774
Base-Backbone interact. energy: 1.830
local terms energy: -70.158961
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -158.633253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.633253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.633253 (E_RNA)
where:
Base-Base interactions energy: -99.071
where: short stacking energy: -52.094
Base-Backbone interact. energy: -0.081
local terms energy: -59.480539
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -5.338
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: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -106.036184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.036184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.036184 (E_RNA)
where:
Base-Base interactions energy: -52.953
where: short stacking energy: -32.330
Base-Backbone interact. energy: -1.759
local terms energy: -51.323967
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -109.794251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.794251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.794251 (E_RNA)
where:
Base-Base interactions energy: -55.034
where: short stacking energy: -30.916
Base-Backbone interact. energy: -3.807
local terms energy: -50.953243
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -88.652882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.652882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.652882 (E_RNA)
where:
Base-Base interactions energy: -35.113
where: short stacking energy: -34.903
Base-Backbone interact. energy: -0.025
local terms energy: -53.514832
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -9.393
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: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -80.060347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.060347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.060347 (E_RNA)
where:
Base-Base interactions energy: -33.492
where: short stacking energy: -14.588
Base-Backbone interact. energy: -1.062
local terms energy: -45.505771
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -10.601
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: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -74.850273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.850273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.850273 (E_RNA)
where:
Base-Base interactions energy: -29.595
where: short stacking energy: -18.740
Base-Backbone interact. energy: -0.354
local terms energy: -44.901632
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: 4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -218.477602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.477602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.477602 (E_RNA)
where:
Base-Base interactions energy: -137.974
where: short stacking energy: -67.899
Base-Backbone interact. energy: -0.073
local terms energy: -80.431007
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -202.140159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.140159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.140159 (E_RNA)
where:
Base-Base interactions energy: -122.182
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.100
local terms energy: -79.858288
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -204.367236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.367236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.367236 (E_RNA)
where:
Base-Base interactions energy: -134.743
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.404
local terms energy: -69.220231
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -160.660654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.660654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.660654 (E_RNA)
where:
Base-Base interactions energy: -94.044
where: short stacking energy: -49.122
Base-Backbone interact. energy: -0.582
local terms energy: -66.034829
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -171.044132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.044132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.044132 (E_RNA)
where:
Base-Base interactions energy: -114.624
where: short stacking energy: -60.735
Base-Backbone interact. energy: -0.007
local terms energy: -56.412427
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -151.707255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.707255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.707255 (E_RNA)
where:
Base-Base interactions energy: -93.121
where: short stacking energy: -51.263
Base-Backbone interact. energy: -0.012
local terms energy: -58.574081
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -107.508323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.508323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.508323 (E_RNA)
where:
Base-Base interactions energy: -44.932
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.028
local terms energy: -62.547867
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -4.312
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: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -89.643653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.643653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.643653 (E_RNA)
where:
Base-Base interactions energy: -36.655
where: short stacking energy: -32.963
Base-Backbone interact. energy: -0.756
local terms energy: -52.232689
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -8.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -85.066241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.066241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.066241 (E_RNA)
where:
Base-Base interactions energy: -28.625
where: short stacking energy: -28.625
Base-Backbone interact. energy: -0.143
local terms energy: -56.298260
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -82.670386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.670386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.670386 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -27.164
Base-Backbone interact. energy: -0.339
local terms energy: -45.916073
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: 2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -220.692536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.692536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.692536 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -72.759
Base-Backbone interact. energy: -0.013
local terms energy: -80.455318
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -203.957391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.957391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.957391 (E_RNA)
where:
Base-Base interactions energy: -133.057
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.152
local terms energy: -70.748126
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -18.373
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: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -195.598276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.598276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.598276 (E_RNA)
where:
Base-Base interactions energy: -125.698
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.028
local terms energy: -69.872475
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -19.180
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: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -153.615381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.615381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.615381 (E_RNA)
where:
Base-Base interactions energy: -96.245
where: short stacking energy: -58.427
Base-Backbone interact. energy: -0.377
local terms energy: -56.993535
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -154.465100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.465100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.465100 (E_RNA)
where:
Base-Base interactions energy: -90.702
where: short stacking energy: -36.197
Base-Backbone interact. energy: -0.132
local terms energy: -63.630255
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -147.951491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.951491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.951491 (E_RNA)
where:
Base-Base interactions energy: -81.922
where: short stacking energy: -43.738
Base-Backbone interact. energy: -0.080
local terms energy: -65.949097
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -9.365
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: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -110.900104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.900104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.900104 (E_RNA)
where:
Base-Base interactions energy: -63.708
where: short stacking energy: -40.124
Base-Backbone interact. energy: -0.056
local terms energy: -47.135561
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -5.300
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: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -87.137956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.137956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.137956 (E_RNA)
where:
Base-Base interactions energy: -40.471
where: short stacking energy: -26.173
Base-Backbone interact. energy: -0.207
local terms energy: -46.460711
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -7.804
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: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -81.596997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.596997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.596997 (E_RNA)
where:
Base-Base interactions energy: -34.267
where: short stacking energy: -34.267
Base-Backbone interact. energy: -0.044
local terms energy: -47.285911
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -73.690465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.690465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.690465 (E_RNA)
where:
Base-Base interactions energy: -20.402
where: short stacking energy: -20.402
Base-Backbone interact. energy: -0.182
local terms energy: -53.107020
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -224.009792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.009792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.009792 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -71.651
Base-Backbone interact. energy: -0.021
local terms energy: -80.318033
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -22.313
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: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -207.703518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.703518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.703518 (E_RNA)
where:
Base-Base interactions energy: -129.557
where: short stacking energy: -63.129
Base-Backbone interact. energy: -0.770
local terms energy: -77.376214
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -21.012
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: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -193.076574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.076574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.076574 (E_RNA)
where:
Base-Base interactions energy: -121.839
where: short stacking energy: -53.553
Base-Backbone interact. energy: -0.034
local terms energy: -71.203930
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -172.012517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.012517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.012517 (E_RNA)
where:
Base-Base interactions energy: -104.601
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.029
local terms energy: -67.382353
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -157.140980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.140980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.140980 (E_RNA)
where:
Base-Base interactions energy: -88.129
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.667
local terms energy: -68.345561
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -157.511024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.511024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.511024 (E_RNA)
where:
Base-Base interactions energy: -90.533
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.276
local terms energy: -66.702076
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -82.971397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.971397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.971397 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -21.756
Base-Backbone interact. energy: -0.301
local terms energy: -49.968672
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -1.722
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: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -82.107084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.107084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.107084 (E_RNA)
where:
Base-Base interactions energy: -34.923
where: short stacking energy: -30.194
Base-Backbone interact. energy: 0.851
local terms energy: -48.035840
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: 4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -91.941905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.941905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.941905 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -39.328
Base-Backbone interact. energy: -0.034
local terms energy: -52.580329
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -3.022
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: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -84.162766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.162766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.162766 (E_RNA)
where:
Base-Base interactions energy: -44.948
where: short stacking energy: -31.154
Base-Backbone interact. energy: -0.134
local terms energy: -39.081175
where:
bonds (distance) C4'-P energy: -6.882
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -212.099059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.099059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.099059 (E_RNA)
where:
Base-Base interactions energy: -132.486
where: short stacking energy: -67.234
Base-Backbone interact. energy: -0.037
local terms energy: -79.575600
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -206.453446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.453446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.453446 (E_RNA)
where:
Base-Base interactions energy: -135.512
where: short stacking energy: -74.510
Base-Backbone interact. energy: -0.174
local terms energy: -70.766880
where:
bonds (distance) C4'-P energy: -8.955
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -186.317603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.317603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.317603 (E_RNA)
where:
Base-Base interactions energy: -112.701
where: short stacking energy: -53.207
Base-Backbone interact. energy: -0.699
local terms energy: -72.916979
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -13.213
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: 104
Temperature: 1.050000
Total energy: -186.871757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.871757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.871757 (E_RNA)
where:
Base-Base interactions energy: -114.102
where: short stacking energy: -58.822
Base-Backbone interact. energy: -2.037
local terms energy: -70.733686
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -17.274
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: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -162.823651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.823651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.823651 (E_RNA)
where:
Base-Base interactions energy: -99.673
where: short stacking energy: -53.257
Base-Backbone interact. energy: -0.234
local terms energy: -62.916487
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -157.881664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.881664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.881664 (E_RNA)
where:
Base-Base interactions energy: -93.330
where: short stacking energy: -44.996
Base-Backbone interact. energy: 0.501
local terms energy: -65.052215
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -9.006
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -108.027021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.027021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.027021 (E_RNA)
where:
Base-Base interactions energy: -48.824
where: short stacking energy: -48.824
Base-Backbone interact. energy: -0.003
local terms energy: -59.199973
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -7.248
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: 104
Temperature: 1.250000
Total energy: -90.582992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.582992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.582992 (E_RNA)
where:
Base-Base interactions energy: -41.913
where: short stacking energy: -26.997
Base-Backbone interact. energy: -0.576
local terms energy: -48.093902
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -4.189
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: 9, replica: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -86.265943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.265943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.265943 (E_RNA)
where:
Base-Base interactions energy: -45.506
where: short stacking energy: -35.511
Base-Backbone interact. energy: 1.371
local terms energy: -42.130536
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -73.095564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.095564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.095564 (E_RNA)
where:
Base-Base interactions energy: -23.995
where: short stacking energy: -23.995
Base-Backbone interact. energy: -0.113
local terms energy: -48.986652
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -0.195
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -223.421183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.421183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.421183 (E_RNA)
where:
Base-Base interactions energy: -141.993
where: short stacking energy: -74.023
Base-Backbone interact. energy: -0.028
local terms energy: -81.400609
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -20.967
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: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -206.137065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.137065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.137065 (E_RNA)
where:
Base-Base interactions energy: -132.271
where: short stacking energy: -67.553
Base-Backbone interact. energy: -0.019
local terms energy: -73.846334
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -190.265140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.265140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.265140 (E_RNA)
where:
Base-Base interactions energy: -113.043
where: short stacking energy: -74.534
Base-Backbone interact. energy: -0.038
local terms energy: -77.183413
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -192.291116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.291116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.291116 (E_RNA)
where:
Base-Base interactions energy: -120.861
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.340
local terms energy: -71.090652
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -151.067762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.067762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.067762 (E_RNA)
where:
Base-Base interactions energy: -98.264
where: short stacking energy: -50.958
Base-Backbone interact. energy: -0.081
local terms energy: -52.722930
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -104.444305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.444305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.444305 (E_RNA)
where:
Base-Base interactions energy: -51.665
where: short stacking energy: -37.956
Base-Backbone interact. energy: 0.881
local terms energy: -53.660430
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -5.817
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: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -115.858564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.858564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.858564 (E_RNA)
where:
Base-Base interactions energy: -61.425
where: short stacking energy: -35.394
Base-Backbone interact. energy: -0.173
local terms energy: -54.260858
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -7.588
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: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -80.051863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.051863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.051863 (E_RNA)
where:
Base-Base interactions energy: -22.457
where: short stacking energy: -19.256
Base-Backbone interact. energy: -0.257
local terms energy: -57.338322
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: 1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -83.771729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.771729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.771729 (E_RNA)
where:
Base-Base interactions energy: -37.340
where: short stacking energy: -32.767
Base-Backbone interact. energy: 0.286
local terms energy: -46.717532
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -75.435712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.435712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.435712 (E_RNA)
where:
Base-Base interactions energy: -24.937
where: short stacking energy: -21.834
Base-Backbone interact. energy: 0.168
local terms energy: -50.667691
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -225.095523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.095523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.095523 (E_RNA)
where:
Base-Base interactions energy: -143.429
where: short stacking energy: -75.280
Base-Backbone interact. energy: -0.031
local terms energy: -81.635078
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -199.632649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.632649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.632649 (E_RNA)
where:
Base-Base interactions energy: -132.640
where: short stacking energy: -55.796
Base-Backbone interact. energy: 0.161
local terms energy: -67.153962
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -12.806
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: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -170.575213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.575213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.575213 (E_RNA)
where:
Base-Base interactions energy: -97.823
where: short stacking energy: -63.606
Base-Backbone interact. energy: -1.390
local terms energy: -71.362283
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -190.740778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.740778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.740778 (E_RNA)
where:
Base-Base interactions energy: -113.538
where: short stacking energy: -56.346
Base-Backbone interact. energy: -0.726
local terms energy: -76.476898
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -9.851
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: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -149.761049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.761049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.761049 (E_RNA)
where:
Base-Base interactions energy: -84.600
where: short stacking energy: -45.161
Base-Backbone interact. energy: -0.035
local terms energy: -65.126414
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -10.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -101.241584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.241584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.241584 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -39.506
Base-Backbone interact. energy: -0.085
local terms energy: -58.556078
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -88.261403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.261403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.261403 (E_RNA)
where:
Base-Base interactions energy: -34.974
where: short stacking energy: -30.350
Base-Backbone interact. energy: -0.028
local terms energy: -53.258632
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: 0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -87.017510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.017510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.017510 (E_RNA)
where:
Base-Base interactions energy: -27.612
where: short stacking energy: -27.297
Base-Backbone interact. energy: 0.063
local terms energy: -59.467630
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -71.747274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.747274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.747274 (E_RNA)
where:
Base-Base interactions energy: -24.415
where: short stacking energy: -24.415
Base-Backbone interact. energy: -0.132
local terms energy: -47.199982
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: 1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -82.073344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.073344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.073344 (E_RNA)
where:
Base-Base interactions energy: -30.438
where: short stacking energy: -27.731
Base-Backbone interact. energy: -0.581
local terms energy: -51.054129
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -225.856232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.856232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.856232 (E_RNA)
where:
Base-Base interactions energy: -141.230
where: short stacking energy: -75.963
Base-Backbone interact. energy: -0.011
local terms energy: -84.614904
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -194.697735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.697735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.697735 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -73.288
Base-Backbone interact. energy: -0.007
local terms energy: -73.776716
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -192.091899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.091899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.091899 (E_RNA)
where:
Base-Base interactions energy: -120.784
where: short stacking energy: -68.167
Base-Backbone interact. energy: -0.637
local terms energy: -70.670247
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -179.629125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.629125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.629125 (E_RNA)
where:
Base-Base interactions energy: -104.260
where: short stacking energy: -63.824
Base-Backbone interact. energy: -0.032
local terms energy: -75.336880
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -163.015734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.015734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.015734 (E_RNA)
where:
Base-Base interactions energy: -103.788
where: short stacking energy: -44.862
Base-Backbone interact. energy: 0.177
local terms energy: -59.404385
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -8.760
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: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -96.509276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.509276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.509276 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -37.182
Base-Backbone interact. energy: 0.623
local terms energy: -59.950274
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -90.652019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.652019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.652019 (E_RNA)
where:
Base-Base interactions energy: -43.683
where: short stacking energy: -33.809
Base-Backbone interact. energy: 0.175
local terms energy: -47.143736
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -101.165970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.165970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.165970 (E_RNA)
where:
Base-Base interactions energy: -41.578
where: short stacking energy: -39.005
Base-Backbone interact. energy: -0.146
local terms energy: -59.441919
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -75.074378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.074378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.074378 (E_RNA)
where:
Base-Base interactions energy: -23.247
where: short stacking energy: -23.247
Base-Backbone interact. energy: -0.059
local terms energy: -51.768064
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -70.983838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.983838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.983838 (E_RNA)
where:
Base-Base interactions energy: -23.893
where: short stacking energy: -18.662
Base-Backbone interact. energy: -0.705
local terms energy: -46.385479
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -1.324
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: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -221.119416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.119416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.119416 (E_RNA)
where:
Base-Base interactions energy: -141.119
where: short stacking energy: -71.974
Base-Backbone interact. energy: -0.003
local terms energy: -79.997595
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -22.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -202.836172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.836172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.836172 (E_RNA)
where:
Base-Base interactions energy: -130.571
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.010
local terms energy: -72.255441
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -10.985
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: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -171.653683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.653683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.653683 (E_RNA)
where:
Base-Base interactions energy: -101.888
where: short stacking energy: -51.148
Base-Backbone interact. energy: -0.036
local terms energy: -69.729043
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -11.172
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: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -186.412457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.412457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.412457 (E_RNA)
where:
Base-Base interactions energy: -116.740
where: short stacking energy: -53.808
Base-Backbone interact. energy: -0.294
local terms energy: -69.378794
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -168.268673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.268673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.268673 (E_RNA)
where:
Base-Base interactions energy: -102.467
where: short stacking energy: -53.249
Base-Backbone interact. energy: -0.403
local terms energy: -65.398410
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -96.631066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.631066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.631066 (E_RNA)
where:
Base-Base interactions energy: -38.115
where: short stacking energy: -38.115
Base-Backbone interact. energy: -0.043
local terms energy: -58.472658
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -88.976787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.976787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.976787 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.005
local terms energy: -51.589409
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -90.637722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.637722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.637722 (E_RNA)
where:
Base-Base interactions energy: -36.173
where: short stacking energy: -35.605
Base-Backbone interact. energy: -0.026
local terms energy: -54.438753
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -8.119
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: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -81.940455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.940455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.940455 (E_RNA)
where:
Base-Base interactions energy: -36.454
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.208
local terms energy: -45.278401
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: -4.812
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: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -86.901742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901742 (E_RNA)
where:
Base-Base interactions energy: -36.230
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.094
local terms energy: -50.577812
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -199.038344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.038344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.038344 (E_RNA)
where:
Base-Base interactions energy: -128.706
where: short stacking energy: -72.554
Base-Backbone interact. energy: 0.141
local terms energy: -70.473102
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -204.626125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.626125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.626125 (E_RNA)
where:
Base-Base interactions energy: -130.189
where: short stacking energy: -69.398
Base-Backbone interact. energy: -0.003
local terms energy: -74.433889
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -161.095252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.095252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.095252 (E_RNA)
where:
Base-Base interactions energy: -96.340
where: short stacking energy: -42.878
Base-Backbone interact. energy: -0.323
local terms energy: -64.432565
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -178.682176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.682176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.682176 (E_RNA)
where:
Base-Base interactions energy: -108.744
where: short stacking energy: -48.224
Base-Backbone interact. energy: -0.024
local terms energy: -69.914216
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -162.601487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.601487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.601487 (E_RNA)
where:
Base-Base interactions energy: -93.139
where: short stacking energy: -53.389
Base-Backbone interact. energy: -1.258
local terms energy: -68.204405
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -88.460588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.460588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.460588 (E_RNA)
where:
Base-Base interactions energy: -31.081
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.104
local terms energy: -57.276124
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -116.111595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.111595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.111595 (E_RNA)
where:
Base-Base interactions energy: -73.270
where: short stacking energy: -25.623
Base-Backbone interact. energy: -0.152
local terms energy: -42.690002
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -8.153
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -79.991483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.991483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.991483 (E_RNA)
where:
Base-Base interactions energy: -26.631
where: short stacking energy: -26.631
Base-Backbone interact. energy: 4.008
local terms energy: -57.368588
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -79.501833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.501833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.501833 (E_RNA)
where:
Base-Base interactions energy: -25.028
where: short stacking energy: -22.948
Base-Backbone interact. energy: -0.106
local terms energy: -54.368050
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -86.139919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.139919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.139919 (E_RNA)
where:
Base-Base interactions energy: -36.500
where: short stacking energy: -29.599
Base-Backbone interact. energy: 0.279
local terms energy: -49.918259
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -6.479
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: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -209.492688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.492688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.492688 (E_RNA)
where:
Base-Base interactions energy: -130.232
where: short stacking energy: -69.032
Base-Backbone interact. energy: -0.025
local terms energy: -79.234911
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -205.608053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.608053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.608053 (E_RNA)
where:
Base-Base interactions energy: -132.179
where: short stacking energy: -60.545
Base-Backbone interact. energy: -2.303
local terms energy: -71.125929
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -199.784394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.784394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.784394 (E_RNA)
where:
Base-Base interactions energy: -124.567
where: short stacking energy: -72.621
Base-Backbone interact. energy: -0.684
local terms energy: -74.534081
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -19.074
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: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -170.079392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.079392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.079392 (E_RNA)
where:
Base-Base interactions energy: -109.176
where: short stacking energy: -55.532
Base-Backbone interact. energy: -0.789
local terms energy: -60.114212
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -145.300271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.300271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.300271 (E_RNA)
where:
Base-Base interactions energy: -86.576
where: short stacking energy: -48.783
Base-Backbone interact. energy: -0.409
local terms energy: -58.314948
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -11.820
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: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -103.785459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.785459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.785459 (E_RNA)
where:
Base-Base interactions energy: -41.156
where: short stacking energy: -39.227
Base-Backbone interact. energy: -0.145
local terms energy: -62.484706
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -7.686
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: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -92.270085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.270085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.270085 (E_RNA)
where:
Base-Base interactions energy: -44.346
where: short stacking energy: -37.723
Base-Backbone interact. energy: -0.210
local terms energy: -47.714101
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -104.693327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.693327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.693327 (E_RNA)
where:
Base-Base interactions energy: -61.290
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.270
local terms energy: -43.133504
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -7.179
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -78.160395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.160395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.160395 (E_RNA)
where:
Base-Base interactions energy: -33.788
where: short stacking energy: -17.465
Base-Backbone interact. energy: -0.335
local terms energy: -44.037542
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -79.604760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.604760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.604760 (E_RNA)
where:
Base-Base interactions energy: -38.682
where: short stacking energy: -38.269
Base-Backbone interact. energy: -0.206
local terms energy: -40.717551
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -6.220
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: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -210.085599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.085599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.085599 (E_RNA)
where:
Base-Base interactions energy: -136.137
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.033
local terms energy: -73.915527
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -203.631126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.631126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.631126 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -61.038
Base-Backbone interact. energy: -0.001
local terms energy: -70.360033
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -210.578375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.578375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.578375 (E_RNA)
where:
Base-Base interactions energy: -127.271
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.392
local terms energy: -82.915617
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -21.429
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: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -174.337892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.337892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.337892 (E_RNA)
where:
Base-Base interactions energy: -109.510
where: short stacking energy: -60.637
Base-Backbone interact. energy: -0.240
local terms energy: -64.588118
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -154.413371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.413371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.413371 (E_RNA)
where:
Base-Base interactions energy: -93.124
where: short stacking energy: -52.293
Base-Backbone interact. energy: -0.269
local terms energy: -61.020641
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -99.141875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.141875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.141875 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -37.242
Base-Backbone interact. energy: -0.065
local terms energy: -61.835010
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -99.089546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.089546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.089546 (E_RNA)
where:
Base-Base interactions energy: -43.134
where: short stacking energy: -41.795
Base-Backbone interact. energy: -0.324
local terms energy: -55.631039
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: -9.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -91.704924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.704924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.704924 (E_RNA)
where:
Base-Base interactions energy: -45.605
where: short stacking energy: -35.164
Base-Backbone interact. energy: 0.444
local terms energy: -46.544241
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -1.556
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: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -87.729905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.729905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.729905 (E_RNA)
where:
Base-Base interactions energy: -49.055
where: short stacking energy: -27.975
Base-Backbone interact. energy: -0.292
local terms energy: -38.382804
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -82.484579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.484579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.484579 (E_RNA)
where:
Base-Base interactions energy: -41.453
where: short stacking energy: -41.453
Base-Backbone interact. energy: -0.007
local terms energy: -41.024678
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -2.449
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -216.886120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.886120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.886120 (E_RNA)
where:
Base-Base interactions energy: -136.248
where: short stacking energy: -72.896
Base-Backbone interact. energy: -0.707
local terms energy: -79.931571
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -217.515950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.515950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.515950 (E_RNA)
where:
Base-Base interactions energy: -143.546
where: short stacking energy: -74.543
Base-Backbone interact. energy: -0.004
local terms energy: -73.966665
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -11.598
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: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -211.676415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.676415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.676415 (E_RNA)
where:
Base-Base interactions energy: -132.634
where: short stacking energy: -66.695
Base-Backbone interact. energy: -0.078
local terms energy: -78.965051
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -21.953
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: 112
Temperature: 1.050000
Total energy: -190.109343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.109343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.109343 (E_RNA)
where:
Base-Base interactions energy: -126.362
where: short stacking energy: -66.301
Base-Backbone interact. energy: 1.463
local terms energy: -65.210665
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -168.935130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.935130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.935130 (E_RNA)
where:
Base-Base interactions energy: -106.418
where: short stacking energy: -52.881
Base-Backbone interact. energy: -1.404
local terms energy: -61.113562
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -105.165364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.165364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.165364 (E_RNA)
where:
Base-Base interactions energy: -41.448
where: short stacking energy: -39.927
Base-Backbone interact. energy: -0.109
local terms energy: -63.609081
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -90.364839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.364839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.364839 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -22.168
Base-Backbone interact. energy: -0.915
local terms energy: -54.152064
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -10.549
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: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -88.003515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.003515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.003515 (E_RNA)
where:
Base-Base interactions energy: -29.754
where: short stacking energy: -26.580
Base-Backbone interact. energy: -0.060
local terms energy: -58.189705
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -11.407
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: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -83.695614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.695614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.695614 (E_RNA)
where:
Base-Base interactions energy: -35.164
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.036
local terms energy: -48.495654
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -4.660
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: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -78.521867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.521867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.521867 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -22.271
Base-Backbone interact. energy: 0.344
local terms energy: -34.653047
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -3.486
tors. eta vs tors. theta energy: 1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -210.826173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.826173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.826173 (E_RNA)
where:
Base-Base interactions energy: -134.097
where: short stacking energy: -66.545
Base-Backbone interact. energy: -0.233
local terms energy: -76.496563
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -222.466441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.466441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.466441 (E_RNA)
where:
Base-Base interactions energy: -142.009
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.025
local terms energy: -80.432491
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -21.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -209.038088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.038088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.038088 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -77.309
Base-Backbone interact. energy: -0.022
local terms energy: -75.145394
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -8.877
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: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -183.341409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.341409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.341409 (E_RNA)
where:
Base-Base interactions energy: -113.908
where: short stacking energy: -61.211
Base-Backbone interact. energy: -0.030
local terms energy: -69.402755
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -155.803108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.803108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.803108 (E_RNA)
where:
Base-Base interactions energy: -93.036
where: short stacking energy: -46.688
Base-Backbone interact. energy: -0.601
local terms energy: -62.165811
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -9.427
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -10.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -97.801631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.801631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.801631 (E_RNA)
where:
Base-Base interactions energy: -44.980
where: short stacking energy: -40.499
Base-Backbone interact. energy: -0.169
local terms energy: -52.652256
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -90.668811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.668811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.668811 (E_RNA)
where:
Base-Base interactions energy: -36.927
where: short stacking energy: -24.782
Base-Backbone interact. energy: -1.160
local terms energy: -52.581794
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -9.416
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: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -88.996495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.996495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.996495 (E_RNA)
where:
Base-Base interactions energy: -32.019
where: short stacking energy: -32.019
Base-Backbone interact. energy: -0.011
local terms energy: -56.966128
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -4.614
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: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -85.681560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.681560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.681560 (E_RNA)
where:
Base-Base interactions energy: -27.083
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.013
local terms energy: -58.585785
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -76.663879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.663879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.663879 (E_RNA)
where:
Base-Base interactions energy: -29.788
where: short stacking energy: -26.768
Base-Backbone interact. energy: -0.300
local terms energy: -46.576554
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -8.240
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: 0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -221.724023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.724023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.724023 (E_RNA)
where:
Base-Base interactions energy: -144.176
where: short stacking energy: -72.687
Base-Backbone interact. energy: 0.753
local terms energy: -78.301415
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.969
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: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -206.493414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.493414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.493414 (E_RNA)
where:
Base-Base interactions energy: -131.676
where: short stacking energy: -64.293
Base-Backbone interact. energy: -0.153
local terms energy: -74.664017
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -182.198296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.198296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.198296 (E_RNA)
where:
Base-Base interactions energy: -118.239
where: short stacking energy: -51.559
Base-Backbone interact. energy: -0.180
local terms energy: -63.779321
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -11.024
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: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -184.633049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.633049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.633049 (E_RNA)
where:
Base-Base interactions energy: -119.553
where: short stacking energy: -59.029
Base-Backbone interact. energy: -0.204
local terms energy: -64.875885
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -9.908
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: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -102.363282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.363282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.363282 (E_RNA)
where:
Base-Base interactions energy: -44.865
where: short stacking energy: -40.106
Base-Backbone interact. energy: -0.013
local terms energy: -57.485490
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -132.422878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.422878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.422878 (E_RNA)
where:
Base-Base interactions energy: -78.992
where: short stacking energy: -41.238
Base-Backbone interact. energy: 2.013
local terms energy: -55.443737
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -5.832
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: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -90.588998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.588998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.588998 (E_RNA)
where:
Base-Base interactions energy: -33.091
where: short stacking energy: -33.091
Base-Backbone interact. energy: -0.131
local terms energy: -57.366999
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -7.806
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: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -82.139289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.139289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.139289 (E_RNA)
where:
Base-Base interactions energy: -33.933
where: short stacking energy: -29.176
Base-Backbone interact. energy: -0.096
local terms energy: -48.109945
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -86.781797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.781797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.781797 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.192
local terms energy: -51.833349
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -3.895
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: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -80.237926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.237926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.237926 (E_RNA)
where:
Base-Base interactions energy: -27.070
where: short stacking energy: -24.327
Base-Backbone interact. energy: -0.087
local terms energy: -53.081216
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -213.762241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.762241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.762241 (E_RNA)
where:
Base-Base interactions energy: -139.087
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.002
local terms energy: -74.673706
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -9.675
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: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -198.065375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.065375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.065375 (E_RNA)
where:
Base-Base interactions energy: -119.470
where: short stacking energy: -63.659
Base-Backbone interact. energy: -0.537
local terms energy: -78.058514
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -213.173593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.173593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.173593 (E_RNA)
where:
Base-Base interactions energy: -128.524
where: short stacking energy: -68.599
Base-Backbone interact. energy: -2.414
local terms energy: -82.235062
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -11.285
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: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -196.983333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.983333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.983333 (E_RNA)
where:
Base-Base interactions energy: -129.035
where: short stacking energy: -62.772
Base-Backbone interact. energy: -0.786
local terms energy: -67.161850
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -105.037822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.037822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.037822 (E_RNA)
where:
Base-Base interactions energy: -44.785
where: short stacking energy: -41.871
Base-Backbone interact. energy: -0.114
local terms energy: -60.138043
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -143.434699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.434699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.434699 (E_RNA)
where:
Base-Base interactions energy: -93.550
where: short stacking energy: -37.898
Base-Backbone interact. energy: -0.974
local terms energy: -48.911147
where:
bonds (distance) C4'-P energy: -9.343
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -3.327
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: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -106.492473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.492473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.492473 (E_RNA)
where:
Base-Base interactions energy: -47.187
where: short stacking energy: -44.927
Base-Backbone interact. energy: -0.076
local terms energy: -59.229083
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -90.070606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.070606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.070606 (E_RNA)
where:
Base-Base interactions energy: -40.043
where: short stacking energy: -23.835
Base-Backbone interact. energy: -0.121
local terms energy: -49.906590
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -7.546
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: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -78.649560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.649560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.649560 (E_RNA)
where:
Base-Base interactions energy: -34.037
where: short stacking energy: -25.544
Base-Backbone interact. energy: 0.312
local terms energy: -44.924644
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: 0.222
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: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -78.774924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.774924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.774924 (E_RNA)
where:
Base-Base interactions energy: -35.823
where: short stacking energy: -31.102
Base-Backbone interact. energy: -0.122
local terms energy: -42.829569
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -8.331
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -230.000706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.000706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.000706 (E_RNA)
where:
Base-Base interactions energy: -143.345
where: short stacking energy: -77.246
Base-Backbone interact. energy: -0.060
local terms energy: -86.595687
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -186.551461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.551461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.551461 (E_RNA)
where:
Base-Base interactions energy: -123.450
where: short stacking energy: -55.984
Base-Backbone interact. energy: -0.062
local terms energy: -63.039785
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -199.796030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.796030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.796030 (E_RNA)
where:
Base-Base interactions energy: -124.175
where: short stacking energy: -57.742
Base-Backbone interact. energy: -0.142
local terms energy: -75.478986
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -175.207238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.207238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.207238 (E_RNA)
where:
Base-Base interactions energy: -119.710
where: short stacking energy: -68.026
Base-Backbone interact. energy: 0.039
local terms energy: -55.536273
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -7.436
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -18.713
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: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -167.663159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.663159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.663159 (E_RNA)
where:
Base-Base interactions energy: -112.564
where: short stacking energy: -48.946
Base-Backbone interact. energy: 0.095
local terms energy: -55.194397
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -84.221035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.221035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.221035 (E_RNA)
where:
Base-Base interactions energy: -27.467
where: short stacking energy: -25.468
Base-Backbone interact. energy: 0.118
local terms energy: -56.872445
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: 0.515
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: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -89.232075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.232075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.232075 (E_RNA)
where:
Base-Base interactions energy: -37.193
where: short stacking energy: -36.878
Base-Backbone interact. energy: -0.412
local terms energy: -51.626828
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -90.089981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.089981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.089981 (E_RNA)
where:
Base-Base interactions energy: -35.931
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.181
local terms energy: -53.978405
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -8.407
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: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -95.312182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.312182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.312182 (E_RNA)
where:
Base-Base interactions energy: -37.043
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.012
local terms energy: -58.257318
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -79.968565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.968565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.968565 (E_RNA)
where:
Base-Base interactions energy: -32.013
where: short stacking energy: -17.875
Base-Backbone interact. energy: 0.050
local terms energy: -48.005644
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -2.670
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: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -221.144592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.144592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.144592 (E_RNA)
where:
Base-Base interactions energy: -135.103
where: short stacking energy: -68.534
Base-Backbone interact. energy: -0.008
local terms energy: -86.033278
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -24.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -196.277490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.277490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.277490 (E_RNA)
where:
Base-Base interactions energy: -123.169
where: short stacking energy: -69.676
Base-Backbone interact. energy: -0.234
local terms energy: -72.874313
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -193.356502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.356502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.356502 (E_RNA)
where:
Base-Base interactions energy: -116.366
where: short stacking energy: -58.301
Base-Backbone interact. energy: -0.048
local terms energy: -76.942451
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -11.177
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: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -183.758390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.758390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.758390 (E_RNA)
where:
Base-Base interactions energy: -121.674
where: short stacking energy: -52.946
Base-Backbone interact. energy: -0.053
local terms energy: -62.030971
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -158.774021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.774021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.774021 (E_RNA)
where:
Base-Base interactions energy: -91.752
where: short stacking energy: -55.427
Base-Backbone interact. energy: -0.777
local terms energy: -66.245146
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -16.441
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: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -93.784039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.784039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.784039 (E_RNA)
where:
Base-Base interactions energy: -38.666
where: short stacking energy: -38.055
Base-Backbone interact. energy: 0.101
local terms energy: -55.219409
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -104.780140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.780140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.780140 (E_RNA)
where:
Base-Base interactions energy: -48.245
where: short stacking energy: -48.245
Base-Backbone interact. energy: -0.034
local terms energy: -56.501073
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -95.841278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.841278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.841278 (E_RNA)
where:
Base-Base interactions energy: -41.184
where: short stacking energy: -38.654
Base-Backbone interact. energy: -0.007
local terms energy: -54.650435
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -86.503411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.503411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.503411 (E_RNA)
where:
Base-Base interactions energy: -32.120
where: short stacking energy: -32.069
Base-Backbone interact. energy: -1.269
local terms energy: -53.114249
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -6.557
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: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -70.948513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.948513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.948513 (E_RNA)
where:
Base-Base interactions energy: -28.653
where: short stacking energy: -23.416
Base-Backbone interact. energy: 1.192
local terms energy: -43.487904
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -5.242
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -210.355069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.355069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.355069 (E_RNA)
where:
Base-Base interactions energy: -125.101
where: short stacking energy: -67.126
Base-Backbone interact. energy: -0.657
local terms energy: -84.597012
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -11.657
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: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -202.832402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.832402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.832402 (E_RNA)
where:
Base-Base interactions energy: -131.077
where: short stacking energy: -63.260
Base-Backbone interact. energy: -0.269
local terms energy: -71.486819
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -9.266
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: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -179.829599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.829599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.829599 (E_RNA)
where:
Base-Base interactions energy: -111.334
where: short stacking energy: -53.534
Base-Backbone interact. energy: -0.278
local terms energy: -68.217287
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -172.850601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.850601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.850601 (E_RNA)
where:
Base-Base interactions energy: -109.545
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.043
local terms energy: -63.262957
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -11.450
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: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -162.946916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.946916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.946916 (E_RNA)
where:
Base-Base interactions energy: -92.895
where: short stacking energy: -62.158
Base-Backbone interact. energy: -0.496
local terms energy: -69.555953
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -91.571295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.571295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.571295 (E_RNA)
where:
Base-Base interactions energy: -29.931
where: short stacking energy: -26.639
Base-Backbone interact. energy: 0.228
local terms energy: -61.868028
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -90.858219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.858219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.858219 (E_RNA)
where:
Base-Base interactions energy: -42.021
where: short stacking energy: -29.244
Base-Backbone interact. energy: -0.146
local terms energy: -48.691256
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -94.349639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.349639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.349639 (E_RNA)
where:
Base-Base interactions energy: -38.960
where: short stacking energy: -32.872
Base-Backbone interact. energy: -0.470
local terms energy: -54.919858
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -82.079482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.079482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.079482 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -26.555
Base-Backbone interact. energy: -0.118
local terms energy: -47.291545
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -84.925653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.925653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.925653 (E_RNA)
where:
Base-Base interactions energy: -36.075
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.083
local terms energy: -48.767369
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -219.257440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.257440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.257440 (E_RNA)
where:
Base-Base interactions energy: -135.779
where: short stacking energy: -69.825
Base-Backbone interact. energy: -1.226
local terms energy: -82.252471
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -215.825640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.825640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.825640 (E_RNA)
where:
Base-Base interactions energy: -134.311
where: short stacking energy: -67.038
Base-Backbone interact. energy: -0.085
local terms energy: -81.429949
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -18.339
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: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -191.771513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.771513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.771513 (E_RNA)
where:
Base-Base interactions energy: -118.795
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.690
local terms energy: -72.286685
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -174.534640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.534640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.534640 (E_RNA)
where:
Base-Base interactions energy: -96.678
where: short stacking energy: -65.262
Base-Backbone interact. energy: -0.500
local terms energy: -77.356642
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -14.952
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: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -161.582167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.582167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.582167 (E_RNA)
where:
Base-Base interactions energy: -100.935
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.281
local terms energy: -60.366071
where:
bonds (distance) C4'-P energy: -5.683
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -8.566
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: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -104.041672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.041672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.041672 (E_RNA)
where:
Base-Base interactions energy: -48.199
where: short stacking energy: -35.764
Base-Backbone interact. energy: -0.069
local terms energy: -55.774594
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -93.687874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.687874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.687874 (E_RNA)
where:
Base-Base interactions energy: -47.997
where: short stacking energy: -33.454
Base-Backbone interact. energy: -0.497
local terms energy: -45.193887
where:
bonds (distance) C4'-P energy: -8.025
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -92.876685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.876685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.876685 (E_RNA)
where:
Base-Base interactions energy: -53.094
where: short stacking energy: -29.637
Base-Backbone interact. energy: 2.339
local terms energy: -42.121999
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -71.752885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.752885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.752885 (E_RNA)
where:
Base-Base interactions energy: -22.821
where: short stacking energy: -22.821
Base-Backbone interact. energy: -0.162
local terms energy: -48.770075
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -87.325071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.325071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.325071 (E_RNA)
where:
Base-Base interactions energy: -36.467
where: short stacking energy: -36.467
Base-Backbone interact. energy: 0.546
local terms energy: -51.403676
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -223.866502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.866502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.866502 (E_RNA)
where:
Base-Base interactions energy: -144.610
where: short stacking energy: -72.719
Base-Backbone interact. energy: -0.256
local terms energy: -79.000530
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -198.671897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.671897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.671897 (E_RNA)
where:
Base-Base interactions energy: -121.952
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.084
local terms energy: -76.635562
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -174.604290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.604290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.604290 (E_RNA)
where:
Base-Base interactions energy: -104.977
where: short stacking energy: -62.877
Base-Backbone interact. energy: -0.126
local terms energy: -69.500970
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -176.535842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.535842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.535842 (E_RNA)
where:
Base-Base interactions energy: -119.364
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.020
local terms energy: -57.151883
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -8.347
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -8.642
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: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -166.278637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.278637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.278637 (E_RNA)
where:
Base-Base interactions energy: -95.875
where: short stacking energy: -49.198
Base-Backbone interact. energy: -0.010
local terms energy: -70.393144
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -13.761
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: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -115.387917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.387917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.387917 (E_RNA)
where:
Base-Base interactions energy: -68.632
where: short stacking energy: -33.384
Base-Backbone interact. energy: -0.219
local terms energy: -46.536757
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -9.309
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: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -93.889299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.889299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.889299 (E_RNA)
where:
Base-Base interactions energy: -35.057
where: short stacking energy: -34.078
Base-Backbone interact. energy: -0.107
local terms energy: -58.725583
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -82.150560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.150560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.150560 (E_RNA)
where:
Base-Base interactions energy: -26.164
where: short stacking energy: -26.164
Base-Backbone interact. energy: -0.911
local terms energy: -55.075072
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -85.882374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.882374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.882374 (E_RNA)
where:
Base-Base interactions energy: -33.277
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.066
local terms energy: -52.539668
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -75.844803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.844803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.844803 (E_RNA)
where:
Base-Base interactions energy: -32.221
where: short stacking energy: -26.722
Base-Backbone interact. energy: -0.941
local terms energy: -42.683100
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -220.535350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.535350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.535350 (E_RNA)
where:
Base-Base interactions energy: -139.493
where: short stacking energy: -74.807
Base-Backbone interact. energy: -0.032
local terms energy: -81.010500
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -21.621
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: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -173.376914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.376914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.376914 (E_RNA)
where:
Base-Base interactions energy: -109.934
where: short stacking energy: -57.686
Base-Backbone interact. energy: 0.417
local terms energy: -63.860283
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -202.011520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.011520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.011520 (E_RNA)
where:
Base-Base interactions energy: -134.543
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.000
local terms energy: -67.468508
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.108
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: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -175.080316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.080316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.080316 (E_RNA)
where:
Base-Base interactions energy: -111.379
where: short stacking energy: -59.853
Base-Backbone interact. energy: -0.126
local terms energy: -63.574635
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -166.007675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.007675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.007675 (E_RNA)
where:
Base-Base interactions energy: -104.084
where: short stacking energy: -57.666
Base-Backbone interact. energy: -0.472
local terms energy: -61.451910
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -108.146065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.146065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.146065 (E_RNA)
where:
Base-Base interactions energy: -57.578
where: short stacking energy: -35.018
Base-Backbone interact. energy: -1.358
local terms energy: -49.210065
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: 1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -89.632417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.632417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.632417 (E_RNA)
where:
Base-Base interactions energy: -35.601
where: short stacking energy: -32.227
Base-Backbone interact. energy: -0.496
local terms energy: -53.535554
where:
bonds (distance) C4'-P energy: -8.370
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -81.985807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.985807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.985807 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -29.626
Base-Backbone interact. energy: 0.702
local terms energy: -48.901890
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -2.258
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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -89.514102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.514102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.514102 (E_RNA)
where:
Base-Base interactions energy: -38.329
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.359
local terms energy: -50.826519
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -72.139707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.139707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.139707 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -22.111
Base-Backbone interact. energy: -0.122
local terms energy: -41.881281
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: 4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -227.055551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.055551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.055551 (E_RNA)
where:
Base-Base interactions energy: -141.578
where: short stacking energy: -76.403
Base-Backbone interact. energy: -0.014
local terms energy: -85.464155
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -173.620234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.620234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.620234 (E_RNA)
where:
Base-Base interactions energy: -105.595
where: short stacking energy: -65.177
Base-Backbone interact. energy: -0.019
local terms energy: -68.006601
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -17.432
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: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -198.120742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.120742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.120742 (E_RNA)
where:
Base-Base interactions energy: -133.031
where: short stacking energy: -65.995
Base-Backbone interact. energy: 0.249
local terms energy: -65.338307
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -4.638
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: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -172.331686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.331686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.331686 (E_RNA)
where:
Base-Base interactions energy: -98.978
where: short stacking energy: -52.402
Base-Backbone interact. energy: -1.672
local terms energy: -71.681656
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -164.019720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.019720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.019720 (E_RNA)
where:
Base-Base interactions energy: -92.209
where: short stacking energy: -55.927
Base-Backbone interact. energy: -0.025
local terms energy: -71.785660
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -97.184432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.184432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.184432 (E_RNA)
where:
Base-Base interactions energy: -40.261
where: short stacking energy: -40.261
Base-Backbone interact. energy: -0.146
local terms energy: -56.777545
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -4.234
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: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -95.708438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.708438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.708438 (E_RNA)
where:
Base-Base interactions energy: -46.831
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.346
local terms energy: -48.532228
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -7.813
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -75.928615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.928615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.928615 (E_RNA)
where:
Base-Base interactions energy: -31.788
where: short stacking energy: -22.927
Base-Backbone interact. energy: -0.193
local terms energy: -43.948171
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: 1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -92.750170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.750170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.750170 (E_RNA)
where:
Base-Base interactions energy: -35.543
where: short stacking energy: -35.543
Base-Backbone interact. energy: 0.565
local terms energy: -57.771906
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -75.156824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.156824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.156824 (E_RNA)
where:
Base-Base interactions energy: -20.575
where: short stacking energy: -19.073
Base-Backbone interact. energy: -0.121
local terms energy: -54.461249
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -0.578
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: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -218.112595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.112595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.112595 (E_RNA)
where:
Base-Base interactions energy: -137.051
where: short stacking energy: -72.066
Base-Backbone interact. energy: -0.115
local terms energy: -80.946477
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -13.546
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: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -217.650083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.650083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.650083 (E_RNA)
where:
Base-Base interactions energy: -134.133
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.004
local terms energy: -83.513438
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -20.390
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: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -176.079187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.079187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.079187 (E_RNA)
where:
Base-Base interactions energy: -109.489
where: short stacking energy: -58.839
Base-Backbone interact. energy: 1.928
local terms energy: -68.518154
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -11.956
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -186.435683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.435683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.435683 (E_RNA)
where:
Base-Base interactions energy: -120.559
where: short stacking energy: -70.145
Base-Backbone interact. energy: -0.024
local terms energy: -65.851996
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -7.525
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: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -159.398890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.398890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.398890 (E_RNA)
where:
Base-Base interactions energy: -93.649
where: short stacking energy: -53.639
Base-Backbone interact. energy: -0.661
local terms energy: -65.089005
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -97.415529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.415529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.415529 (E_RNA)
where:
Base-Base interactions energy: -42.525
where: short stacking energy: -39.544
Base-Backbone interact. energy: -0.008
local terms energy: -54.882875
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -9.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -103.238118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.238118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.238118 (E_RNA)
where:
Base-Base interactions energy: -46.250
where: short stacking energy: -34.735
Base-Backbone interact. energy: -0.201
local terms energy: -56.786748
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -83.375133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.375133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.375133 (E_RNA)
where:
Base-Base interactions energy: -31.144
where: short stacking energy: -29.454
Base-Backbone interact. energy: 0.038
local terms energy: -52.269305
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -89.330700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.330700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.330700 (E_RNA)
where:
Base-Base interactions energy: -45.051
where: short stacking energy: -25.313
Base-Backbone interact. energy: -0.967
local terms energy: -43.312507
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: 0.241
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: 123
Temperature: 1.350000
Total energy: -82.190456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.190456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.190456 (E_RNA)
where:
Base-Base interactions energy: -33.357
where: short stacking energy: -29.845
Base-Backbone interact. energy: 0.992
local terms energy: -49.826342
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -8.488
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: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -223.544316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.544316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.544316 (E_RNA)
where:
Base-Base interactions energy: -143.688
where: short stacking energy: -77.524
Base-Backbone interact. energy: -0.399
local terms energy: -79.457584
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -197.645284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.645284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.645284 (E_RNA)
where:
Base-Base interactions energy: -121.987
where: short stacking energy: -64.685
Base-Backbone interact. energy: 0.271
local terms energy: -75.928749
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -194.528588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.528588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.528588 (E_RNA)
where:
Base-Base interactions energy: -115.192
where: short stacking energy: -68.952
Base-Backbone interact. energy: -0.056
local terms energy: -79.280471
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -22.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -167.764687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.764687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.764687 (E_RNA)
where:
Base-Base interactions energy: -98.661
where: short stacking energy: -50.400
Base-Backbone interact. energy: -0.226
local terms energy: -68.876915
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -156.814239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.814239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.814239 (E_RNA)
where:
Base-Base interactions energy: -94.943
where: short stacking energy: -47.835
Base-Backbone interact. energy: -0.076
local terms energy: -61.795487
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -99.370047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.370047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.370047 (E_RNA)
where:
Base-Base interactions energy: -46.556
where: short stacking energy: -31.842
Base-Backbone interact. energy: 0.065
local terms energy: -52.879027
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -96.882210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.882210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.882210 (E_RNA)
where:
Base-Base interactions energy: -48.286
where: short stacking energy: -42.922
Base-Backbone interact. energy: -0.094
local terms energy: -48.502611
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -10.494
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: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -83.541238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.541238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.541238 (E_RNA)
where:
Base-Base interactions energy: -37.186
where: short stacking energy: -33.251
Base-Backbone interact. energy: -1.284
local terms energy: -45.070322
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: 0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -86.925436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.925436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.925436 (E_RNA)
where:
Base-Base interactions energy: -32.087
where: short stacking energy: -27.113
Base-Backbone interact. energy: 0.229
local terms energy: -55.067368
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -87.424453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.424453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.424453 (E_RNA)
where:
Base-Base interactions energy: -40.264
where: short stacking energy: -27.894
Base-Backbone interact. energy: -0.166
local terms energy: -46.994555
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -8.776
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: 125
Temperature: 0.900000
Total energy: -223.014787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.014787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.014787 (E_RNA)
where:
Base-Base interactions energy: -140.745
where: short stacking energy: -73.195
Base-Backbone interact. energy: -0.033
local terms energy: -82.237446
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -193.708767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.708767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.708767 (E_RNA)
where:
Base-Base interactions energy: -117.046
where: short stacking energy: -66.451
Base-Backbone interact. energy: -0.029
local terms energy: -76.634000
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -203.814609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.814609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.814609 (E_RNA)
where:
Base-Base interactions energy: -132.680
where: short stacking energy: -69.760
Base-Backbone interact. energy: -0.002
local terms energy: -71.133424
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -159.419609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.419609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.419609 (E_RNA)
where:
Base-Base interactions energy: -91.557
where: short stacking energy: -53.243
Base-Backbone interact. energy: -0.298
local terms energy: -67.564552
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -169.618551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.618551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.618551 (E_RNA)
where:
Base-Base interactions energy: -116.587
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.109
local terms energy: -52.922264
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -8.037
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -8.179
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: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -100.854983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.854983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.854983 (E_RNA)
where:
Base-Base interactions energy: -39.436
where: short stacking energy: -38.320
Base-Backbone interact. energy: 0.258
local terms energy: -61.677756
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -8.436
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: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -96.736364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.736364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.736364 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -37.846
Base-Backbone interact. energy: -0.090
local terms energy: -58.143379
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -85.985921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.985921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.985921 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.035
local terms energy: -47.388874
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -8.565
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: 9, replica: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -78.310576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.310576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.310576 (E_RNA)
where:
Base-Base interactions energy: -33.681
where: short stacking energy: -14.762
Base-Backbone interact. energy: -0.172
local terms energy: -44.457218
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: 3.929
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: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -92.904988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.904988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.904988 (E_RNA)
where:
Base-Base interactions energy: -33.736
where: short stacking energy: -33.355
Base-Backbone interact. energy: -1.441
local terms energy: -57.728077
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -5.931
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: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -219.645686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.645686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.645686 (E_RNA)
where:
Base-Base interactions energy: -138.675
where: short stacking energy: -74.714
Base-Backbone interact. energy: -1.216
local terms energy: -79.755235
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -197.152881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.152881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.152881 (E_RNA)
where:
Base-Base interactions energy: -114.727
where: short stacking energy: -64.590
Base-Backbone interact. energy: -0.003
local terms energy: -82.423009
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -201.487333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.487333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.487333 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -60.302
Base-Backbone interact. energy: -0.000
local terms energy: -79.168114
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -9.428
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: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -160.117971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.117971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.117971 (E_RNA)
where:
Base-Base interactions energy: -90.711
where: short stacking energy: -50.721
Base-Backbone interact. energy: -0.868
local terms energy: -68.538472
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -178.166553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.166553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.166553 (E_RNA)
where:
Base-Base interactions energy: -110.674
where: short stacking energy: -65.085
Base-Backbone interact. energy: -0.039
local terms energy: -67.453219
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -107.451020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.451020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.451020 (E_RNA)
where:
Base-Base interactions energy: -48.727
where: short stacking energy: -22.116
Base-Backbone interact. energy: -1.418
local terms energy: -57.305729
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -4.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -97.606846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.606846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.606846 (E_RNA)
where:
Base-Base interactions energy: -39.444
where: short stacking energy: -32.367
Base-Backbone interact. energy: -0.068
local terms energy: -58.095505
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -88.744564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.744564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.744564 (E_RNA)
where:
Base-Base interactions energy: -30.504
where: short stacking energy: -29.781
Base-Backbone interact. energy: -0.251
local terms energy: -57.989233
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -78.348617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.348617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.348617 (E_RNA)
where:
Base-Base interactions energy: -33.934
where: short stacking energy: -24.852
Base-Backbone interact. energy: -0.102
local terms energy: -44.311937
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -2.330
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -72.770506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.770506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.770506 (E_RNA)
where:
Base-Base interactions energy: -26.885
where: short stacking energy: -21.633
Base-Backbone interact. energy: -0.588
local terms energy: -45.298123
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -224.377216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.377216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.377216 (E_RNA)
where:
Base-Base interactions energy: -141.359
where: short stacking energy: -74.214
Base-Backbone interact. energy: -0.003
local terms energy: -83.015046
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -206.311111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.311111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.311111 (E_RNA)
where:
Base-Base interactions energy: -134.550
where: short stacking energy: -66.023
Base-Backbone interact. energy: -0.007
local terms energy: -71.754335
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -14.939
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: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -183.838517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.838517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.838517 (E_RNA)
where:
Base-Base interactions energy: -111.782
where: short stacking energy: -52.123
Base-Backbone interact. energy: -0.426
local terms energy: -71.630863
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -165.558509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.558509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.558509 (E_RNA)
where:
Base-Base interactions energy: -96.109
where: short stacking energy: -50.993
Base-Backbone interact. energy: 0.158
local terms energy: -69.607678
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -171.628996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.628996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.628996 (E_RNA)
where:
Base-Base interactions energy: -107.006
where: short stacking energy: -49.973
Base-Backbone interact. energy: -0.069
local terms energy: -64.553958
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -96.776506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.776506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.776506 (E_RNA)
where:
Base-Base interactions energy: -44.823
where: short stacking energy: -39.874
Base-Backbone interact. energy: -0.145
local terms energy: -51.808313
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -8.439
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: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -92.701544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.701544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.701544 (E_RNA)
where:
Base-Base interactions energy: -45.842
where: short stacking energy: -30.919
Base-Backbone interact. energy: -0.574
local terms energy: -46.285176
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -94.785665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.785665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.785665 (E_RNA)
where:
Base-Base interactions energy: -46.852
where: short stacking energy: -26.506
Base-Backbone interact. energy: -0.161
local terms energy: -47.773470
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -88.954016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.954016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.954016 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -31.392
Base-Backbone interact. energy: -0.166
local terms energy: -57.395764
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -74.601618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.601618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.601618 (E_RNA)
where:
Base-Base interactions energy: -24.878
where: short stacking energy: -24.878
Base-Backbone interact. energy: -0.108
local terms energy: -49.616012
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -213.568108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.568108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.568108 (E_RNA)
where:
Base-Base interactions energy: -133.453
where: short stacking energy: -72.564
Base-Backbone interact. energy: -0.053
local terms energy: -80.061975
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -19.778
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: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -218.677706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.677706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.677706 (E_RNA)
where:
Base-Base interactions energy: -141.038
where: short stacking energy: -69.390
Base-Backbone interact. energy: -0.453
local terms energy: -77.187059
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -141.596849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.596849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.596849 (E_RNA)
where:
Base-Base interactions energy: -90.960
where: short stacking energy: -42.843
Base-Backbone interact. energy: -0.291
local terms energy: -50.345796
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -4.517
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: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -170.541478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.541478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.541478 (E_RNA)
where:
Base-Base interactions energy: -101.798
where: short stacking energy: -55.464
Base-Backbone interact. energy: -0.782
local terms energy: -67.960928
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -165.976919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.976919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.976919 (E_RNA)
where:
Base-Base interactions energy: -101.730
where: short stacking energy: -54.916
Base-Backbone interact. energy: -0.024
local terms energy: -64.222626
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -13.097
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: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -91.511810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.511810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.511810 (E_RNA)
where:
Base-Base interactions energy: -32.839
where: short stacking energy: -32.839
Base-Backbone interact. energy: -0.060
local terms energy: -58.612902
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.187
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: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -92.030474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.030474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.030474 (E_RNA)
where:
Base-Base interactions energy: -40.465
where: short stacking energy: -40.465
Base-Backbone interact. energy: -0.001
local terms energy: -51.565170
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -6.213
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: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -91.351822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.351822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.351822 (E_RNA)
where:
Base-Base interactions energy: -42.604
where: short stacking energy: -35.500
Base-Backbone interact. energy: -2.006
local terms energy: -46.741554
where:
bonds (distance) C4'-P energy: -6.461
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -89.029995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.029995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.029995 (E_RNA)
where:
Base-Base interactions energy: -37.648
where: short stacking energy: -31.991
Base-Backbone interact. energy: -0.040
local terms energy: -51.342023
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.064
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: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -79.036778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.036778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.036778 (E_RNA)
where:
Base-Base interactions energy: -29.167
where: short stacking energy: -25.401
Base-Backbone interact. energy: -0.115
local terms energy: -49.754556
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -6.203
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -216.024363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.024363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.024363 (E_RNA)
where:
Base-Base interactions energy: -132.805
where: short stacking energy: -77.793
Base-Backbone interact. energy: -0.480
local terms energy: -82.739477
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -22.172
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: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -218.802773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.802773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.802773 (E_RNA)
where:
Base-Base interactions energy: -141.898
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.061
local terms energy: -76.843974
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -169.806360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.806360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.806360 (E_RNA)
where:
Base-Base interactions energy: -96.189
where: short stacking energy: -58.938
Base-Backbone interact. energy: -0.649
local terms energy: -72.968476
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -177.266449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.266449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.266449 (E_RNA)
where:
Base-Base interactions energy: -104.850
where: short stacking energy: -67.245
Base-Backbone interact. energy: -0.208
local terms energy: -72.208190
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -157.557614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.557614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.557614 (E_RNA)
where:
Base-Base interactions energy: -90.928
where: short stacking energy: -50.574
Base-Backbone interact. energy: -0.416
local terms energy: -66.213504
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -102.228011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.228011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.228011 (E_RNA)
where:
Base-Base interactions energy: -51.343
where: short stacking energy: -33.933
Base-Backbone interact. energy: -0.125
local terms energy: -50.760095
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -105.697360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.697360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.697360 (E_RNA)
where:
Base-Base interactions energy: -52.286
where: short stacking energy: -43.761
Base-Backbone interact. energy: -0.091
local terms energy: -53.319846
where:
bonds (distance) C4'-P energy: -7.021
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -84.429043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.429043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.429043 (E_RNA)
where:
Base-Base interactions energy: -29.281
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.439
local terms energy: -54.709097
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -83.492406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.492406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.492406 (E_RNA)
where:
Base-Base interactions energy: -28.907
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.170
local terms energy: -54.415405
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -81.718455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.718455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.718455 (E_RNA)
where:
Base-Base interactions energy: -36.178
where: short stacking energy: -29.238
Base-Backbone interact. energy: -0.144
local terms energy: -45.396211
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -1.148
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -222.576533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.576533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.576533 (E_RNA)
where:
Base-Base interactions energy: -143.670
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.013
local terms energy: -78.893733
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -18.451
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: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -202.825167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.825167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.825167 (E_RNA)
where:
Base-Base interactions energy: -130.699
where: short stacking energy: -67.446
Base-Backbone interact. energy: -0.045
local terms energy: -72.081364
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -181.984914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.984914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.984914 (E_RNA)
where:
Base-Base interactions energy: -110.023
where: short stacking energy: -57.844
Base-Backbone interact. energy: -0.001
local terms energy: -71.960843
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -173.109884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.109884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.109884 (E_RNA)
where:
Base-Base interactions energy: -104.558
where: short stacking energy: -46.683
Base-Backbone interact. energy: -0.004
local terms energy: -68.547016
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -12.521
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: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -151.014112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.014112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.014112 (E_RNA)
where:
Base-Base interactions energy: -89.080
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.170
local terms energy: -61.763818
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -106.711764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.711764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.711764 (E_RNA)
where:
Base-Base interactions energy: -42.310
where: short stacking energy: -42.310
Base-Backbone interact. energy: -0.014
local terms energy: -64.387886
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -11.164
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: 7, replica: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -105.181609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.181609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.181609 (E_RNA)
where:
Base-Base interactions energy: -54.174
where: short stacking energy: -28.610
Base-Backbone interact. energy: -0.066
local terms energy: -50.941774
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -85.908231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.908231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.908231 (E_RNA)
where:
Base-Base interactions energy: -32.385
where: short stacking energy: -23.676
Base-Backbone interact. energy: -0.272
local terms energy: -53.251374
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -76.750998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.750998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.750998 (E_RNA)
where:
Base-Base interactions energy: -35.796
where: short stacking energy: -28.514
Base-Backbone interact. energy: -0.145
local terms energy: -40.809364
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -11.385
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: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -79.867732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.867732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.867732 (E_RNA)
where:
Base-Base interactions energy: -35.933
where: short stacking energy: -30.091
Base-Backbone interact. energy: 1.264
local terms energy: -45.198380
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: 1.383
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: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -220.226243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.226243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.226243 (E_RNA)
where:
Base-Base interactions energy: -141.773
where: short stacking energy: -75.682
Base-Backbone interact. energy: -0.001
local terms energy: -78.452669
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -13.420
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: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -189.597442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.597442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.597442 (E_RNA)
where:
Base-Base interactions energy: -115.398
where: short stacking energy: -67.513
Base-Backbone interact. energy: -0.729
local terms energy: -73.471065
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -17.161
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: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -204.888403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.888403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.888403 (E_RNA)
where:
Base-Base interactions energy: -139.566
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.564
local terms energy: -64.757685
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -147.698085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.698085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.698085 (E_RNA)
where:
Base-Base interactions energy: -85.948
where: short stacking energy: -49.798
Base-Backbone interact. energy: -0.187
local terms energy: -61.562967
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.477
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: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -147.714559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.714559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.714559 (E_RNA)
where:
Base-Base interactions energy: -90.937
where: short stacking energy: -51.203
Base-Backbone interact. energy: -0.009
local terms energy: -56.768845
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -95.060202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.060202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.060202 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -33.799
Base-Backbone interact. energy: -0.357
local terms energy: -57.411402
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -96.140726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.140726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.140726 (E_RNA)
where:
Base-Base interactions energy: -40.047
where: short stacking energy: -36.842
Base-Backbone interact. energy: -0.100
local terms energy: -55.993430
where:
bonds (distance) C4'-P energy: -7.185
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -9.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -85.675002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.675002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.675002 (E_RNA)
where:
Base-Base interactions energy: -39.343
where: short stacking energy: -38.324
Base-Backbone interact. energy: 0.437
local terms energy: -46.769155
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -79.169659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.169659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.169659 (E_RNA)
where:
Base-Base interactions energy: -29.631
where: short stacking energy: -29.631
Base-Backbone interact. energy: -0.100
local terms energy: -49.437911
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -1.777
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: 131
Temperature: 1.350000
Total energy: -94.230875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.230875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.230875 (E_RNA)
where:
Base-Base interactions energy: -42.307
where: short stacking energy: -37.445
Base-Backbone interact. energy: -0.254
local terms energy: -51.669617
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -221.814663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.814663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.814663 (E_RNA)
where:
Base-Base interactions energy: -141.199
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.805
local terms energy: -79.810982
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -210.271876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.271876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.271876 (E_RNA)
where:
Base-Base interactions energy: -130.394
where: short stacking energy: -68.569
Base-Backbone interact. energy: -0.300
local terms energy: -79.578270
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -198.723333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.723333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.723333 (E_RNA)
where:
Base-Base interactions energy: -126.395
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.060
local terms energy: -72.268419
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -9.540
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -179.939709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.939709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.939709 (E_RNA)
where:
Base-Base interactions energy: -111.988
where: short stacking energy: -70.618
Base-Backbone interact. energy: -0.884
local terms energy: -67.068365
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -161.344854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.344854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.344854 (E_RNA)
where:
Base-Base interactions energy: -100.041
where: short stacking energy: -50.955
Base-Backbone interact. energy: 1.252
local terms energy: -62.556439
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -104.654881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.654881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.654881 (E_RNA)
where:
Base-Base interactions energy: -45.295
where: short stacking energy: -37.362
Base-Backbone interact. energy: -0.878
local terms energy: -58.481505
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -13.529
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: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -78.648702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.648702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.648702 (E_RNA)
where:
Base-Base interactions energy: -29.585
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.007
local terms energy: -49.056486
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -85.266005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266005 (E_RNA)
where:
Base-Base interactions energy: -36.319
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.035
local terms energy: -48.912734
where:
bonds (distance) C4'-P energy: -5.151
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -11.630
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: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -90.496884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.496884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.496884 (E_RNA)
where:
Base-Base interactions energy: -34.834
where: short stacking energy: -34.678
Base-Backbone interact. energy: -0.113
local terms energy: -55.549784
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -8.046
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -95.117179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.117179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.117179 (E_RNA)
where:
Base-Base interactions energy: -46.137
where: short stacking energy: -46.440
Base-Backbone interact. energy: -0.007
local terms energy: -48.972824
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -9.132
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: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -225.085798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.085798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.085798 (E_RNA)
where:
Base-Base interactions energy: -144.799
where: short stacking energy: -72.917
Base-Backbone interact. energy: -0.011
local terms energy: -80.276538
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -21.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -209.155139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.155139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.155139 (E_RNA)
where:
Base-Base interactions energy: -132.833
where: short stacking energy: -72.407
Base-Backbone interact. energy: -0.564
local terms energy: -75.758508
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -189.456035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.456035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.456035 (E_RNA)
where:
Base-Base interactions energy: -111.883
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.337
local terms energy: -77.236131
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -195.991458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.991458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.991458 (E_RNA)
where:
Base-Base interactions energy: -121.616
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.045
local terms energy: -74.329685
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -155.438793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.438793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.438793 (E_RNA)
where:
Base-Base interactions energy: -92.945
where: short stacking energy: -43.674
Base-Backbone interact. energy: -0.653
local terms energy: -61.841012
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -11.381
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: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -100.865923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.865923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.865923 (E_RNA)
where:
Base-Base interactions energy: -37.366
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.113
local terms energy: -63.386746
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -82.297236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.297236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.297236 (E_RNA)
where:
Base-Base interactions energy: -35.851
where: short stacking energy: -34.867
Base-Backbone interact. energy: -0.655
local terms energy: -45.791224
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -2.085
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: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -86.531262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.531262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.531262 (E_RNA)
where:
Base-Base interactions energy: -36.191
where: short stacking energy: -22.204
Base-Backbone interact. energy: -0.565
local terms energy: -49.775430
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -86.686322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.686322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.686322 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.157
local terms energy: -53.494318
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -6.012
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: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -71.599835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.599835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.599835 (E_RNA)
where:
Base-Base interactions energy: -24.923
where: short stacking energy: -22.840
Base-Backbone interact. energy: -0.621
local terms energy: -46.056180
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -7.979
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: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -220.005474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.005474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.005474 (E_RNA)
where:
Base-Base interactions energy: -133.894
where: short stacking energy: -70.602
Base-Backbone interact. energy: -0.259
local terms energy: -85.853048
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -15.409
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: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -215.095473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.095473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.095473 (E_RNA)
where:
Base-Base interactions energy: -140.257
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.015
local terms energy: -74.823836
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -195.435676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.435676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.435676 (E_RNA)
where:
Base-Base interactions energy: -125.566
where: short stacking energy: -74.125
Base-Backbone interact. energy: -0.723
local terms energy: -69.146723
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -201.294795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.294795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.294795 (E_RNA)
where:
Base-Base interactions energy: -130.649
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.469
local terms energy: -70.176246
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -176.652628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.652628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.652628 (E_RNA)
where:
Base-Base interactions energy: -102.138
where: short stacking energy: -59.275
Base-Backbone interact. energy: -0.155
local terms energy: -74.359468
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.978
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: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -98.245615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.245615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.245615 (E_RNA)
where:
Base-Base interactions energy: -39.818
where: short stacking energy: -39.818
Base-Backbone interact. energy: -0.062
local terms energy: -58.365264
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -4.414
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: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -90.210380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.210380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.210380 (E_RNA)
where:
Base-Base interactions energy: -32.864
where: short stacking energy: -31.417
Base-Backbone interact. energy: -0.008
local terms energy: -57.337981
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -7.960
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: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -79.392692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.392692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.392692 (E_RNA)
where:
Base-Base interactions energy: -25.937
where: short stacking energy: -18.564
Base-Backbone interact. energy: -0.055
local terms energy: -53.400236
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -3.436
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: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -76.586344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.586344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.586344 (E_RNA)
where:
Base-Base interactions energy: -25.055
where: short stacking energy: -23.620
Base-Backbone interact. energy: -0.601
local terms energy: -50.930917
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -72.656144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.656144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.656144 (E_RNA)
where:
Base-Base interactions energy: -28.774
where: short stacking energy: -27.571
Base-Backbone interact. energy: -0.291
local terms energy: -43.590504
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -221.793834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.793834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.793834 (E_RNA)
where:
Base-Base interactions energy: -135.467
where: short stacking energy: -72.982
Base-Backbone interact. energy: -0.576
local terms energy: -85.750923
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -23.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -218.618168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.618168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.618168 (E_RNA)
where:
Base-Base interactions energy: -140.058
where: short stacking energy: -74.767
Base-Backbone interact. energy: -0.335
local terms energy: -78.225462
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -19.379
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: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -203.930450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.930450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.930450 (E_RNA)
where:
Base-Base interactions energy: -125.837
where: short stacking energy: -72.495
Base-Backbone interact. energy: -0.200
local terms energy: -77.892832
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -180.129385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.129385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.129385 (E_RNA)
where:
Base-Base interactions energy: -109.566
where: short stacking energy: -58.981
Base-Backbone interact. energy: -0.199
local terms energy: -70.363740
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -154.054408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.054408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.054408 (E_RNA)
where:
Base-Base interactions energy: -91.079
where: short stacking energy: -44.803
Base-Backbone interact. energy: -0.197
local terms energy: -62.779343
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -101.817550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.817550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.817550 (E_RNA)
where:
Base-Base interactions energy: -53.049
where: short stacking energy: -37.671
Base-Backbone interact. energy: -0.281
local terms energy: -48.488449
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -9.801
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -96.405877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.405877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.405877 (E_RNA)
where:
Base-Base interactions energy: -34.918
where: short stacking energy: -34.377
Base-Backbone interact. energy: -0.472
local terms energy: -61.015602
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -106.568398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.568398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.568398 (E_RNA)
where:
Base-Base interactions energy: -65.783
where: short stacking energy: -26.940
Base-Backbone interact. energy: -1.036
local terms energy: -39.749080
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -78.079618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.079618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.079618 (E_RNA)
where:
Base-Base interactions energy: -33.244
where: short stacking energy: -23.147
Base-Backbone interact. energy: -0.008
local terms energy: -44.827424
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: 1.933
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: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -82.286576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.286576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.286576 (E_RNA)
where:
Base-Base interactions energy: -34.836
where: short stacking energy: -25.688
Base-Backbone interact. energy: -0.290
local terms energy: -47.160737
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -1.439
tors. eta vs tors. theta energy: 2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -223.834990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.834990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.834990 (E_RNA)
where:
Base-Base interactions energy: -143.160
where: short stacking energy: -72.407
Base-Backbone interact. energy: -0.069
local terms energy: -80.606040
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -217.736182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.736182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.736182 (E_RNA)
where:
Base-Base interactions energy: -138.404
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.305
local terms energy: -79.027019
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -23.345
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: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -201.982949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.982949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.982949 (E_RNA)
where:
Base-Base interactions energy: -131.745
where: short stacking energy: -71.439
Base-Backbone interact. energy: -0.608
local terms energy: -69.629047
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -177.792302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.792302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.792302 (E_RNA)
where:
Base-Base interactions energy: -109.035
where: short stacking energy: -61.873
Base-Backbone interact. energy: -1.003
local terms energy: -67.753877
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -153.824010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.824010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.824010 (E_RNA)
where:
Base-Base interactions energy: -89.622
where: short stacking energy: -50.541
Base-Backbone interact. energy: -0.085
local terms energy: -64.117336
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -101.507334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.507334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.507334 (E_RNA)
where:
Base-Base interactions energy: -48.796
where: short stacking energy: -16.557
Base-Backbone interact. energy: -0.445
local terms energy: -52.266051
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -3.617
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: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -103.802919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.802919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.802919 (E_RNA)
where:
Base-Base interactions energy: -47.532
where: short stacking energy: -47.532
Base-Backbone interact. energy: -0.492
local terms energy: -55.777977
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -92.028535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.028535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.028535 (E_RNA)
where:
Base-Base interactions energy: -43.861
where: short stacking energy: -26.811
Base-Backbone interact. energy: -0.693
local terms energy: -47.474631
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: 0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -80.059365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.059365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.059365 (E_RNA)
where:
Base-Base interactions energy: -38.550
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.078
local terms energy: -41.430962
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: 4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -82.229879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.229879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.229879 (E_RNA)
where:
Base-Base interactions energy: -36.565
where: short stacking energy: -23.174
Base-Backbone interact. energy: -0.029
local terms energy: -45.635091
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -217.531500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.531500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.531500 (E_RNA)
where:
Base-Base interactions energy: -138.641
where: short stacking energy: -78.221
Base-Backbone interact. energy: -0.036
local terms energy: -78.854242
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -191.787892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.787892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.787892 (E_RNA)
where:
Base-Base interactions energy: -121.171
where: short stacking energy: -65.941
Base-Backbone interact. energy: -0.281
local terms energy: -70.335834
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -201.291713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.291713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.291713 (E_RNA)
where:
Base-Base interactions energy: -134.090
where: short stacking energy: -61.264
Base-Backbone interact. energy: -0.095
local terms energy: -67.106881
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -162.101088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.101088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.101088 (E_RNA)
where:
Base-Base interactions energy: -99.544
where: short stacking energy: -42.337
Base-Backbone interact. energy: -0.302
local terms energy: -62.255679
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -154.827966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.827966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.827966 (E_RNA)
where:
Base-Base interactions energy: -97.625
where: short stacking energy: -47.866
Base-Backbone interact. energy: 1.963
local terms energy: -59.166078
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -9.600
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: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -95.183348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.183348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.183348 (E_RNA)
where:
Base-Base interactions energy: -45.382
where: short stacking energy: -31.492
Base-Backbone interact. energy: -0.761
local terms energy: -49.040543
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -101.422539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.422539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.422539 (E_RNA)
where:
Base-Base interactions energy: -49.026
where: short stacking energy: -22.150
Base-Backbone interact. energy: -0.634
local terms energy: -51.763143
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -91.428319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.428319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.428319 (E_RNA)
where:
Base-Base interactions energy: -35.371
where: short stacking energy: -35.371
Base-Backbone interact. energy: -0.122
local terms energy: -55.935594
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -6.346
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: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -79.014235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.014235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.014235 (E_RNA)
where:
Base-Base interactions energy: -30.532
where: short stacking energy: -30.325
Base-Backbone interact. energy: -0.215
local terms energy: -48.267638
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -76.230034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.230034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.230034 (E_RNA)
where:
Base-Base interactions energy: -27.616
where: short stacking energy: -19.527
Base-Backbone interact. energy: -0.234
local terms energy: -48.379759
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -220.298150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.298150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.298150 (E_RNA)
where:
Base-Base interactions energy: -141.918
where: short stacking energy: -72.655
Base-Backbone interact. energy: -0.003
local terms energy: -78.377336
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -18.983
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: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -193.074960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.074960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.074960 (E_RNA)
where:
Base-Base interactions energy: -117.683
where: short stacking energy: -73.516
Base-Backbone interact. energy: -0.121
local terms energy: -75.271234
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -208.850805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.850805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.850805 (E_RNA)
where:
Base-Base interactions energy: -134.364
where: short stacking energy: -56.216
Base-Backbone interact. energy: -0.177
local terms energy: -74.309737
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -180.890077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.890077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.890077 (E_RNA)
where:
Base-Base interactions energy: -108.291
where: short stacking energy: -57.669
Base-Backbone interact. energy: -0.812
local terms energy: -71.786380
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -17.244
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: 138
Temperature: 1.100000
Total energy: -155.055399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.055399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.055399 (E_RNA)
where:
Base-Base interactions energy: -92.452
where: short stacking energy: -53.558
Base-Backbone interact. energy: -0.487
local terms energy: -62.115870
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -101.724021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.724021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.724021 (E_RNA)
where:
Base-Base interactions energy: -43.845
where: short stacking energy: -43.597
Base-Backbone interact. energy: -0.187
local terms energy: -57.691733
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -104.726289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.726289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.726289 (E_RNA)
where:
Base-Base interactions energy: -42.010
where: short stacking energy: -37.283
Base-Backbone interact. energy: -0.005
local terms energy: -62.710413
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -114.153140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.153140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.153140 (E_RNA)
where:
Base-Base interactions energy: -64.675
where: short stacking energy: -35.888
Base-Backbone interact. energy: 2.152
local terms energy: -51.629896
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -83.936678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.936678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.936678 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -41.253
Base-Backbone interact. energy: -0.194
local terms energy: -43.289602
where:
bonds (distance) C4'-P energy: -7.545
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -77.472669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.472669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.472669 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.725
local terms energy: -32.561648
where:
bonds (distance) C4'-P energy: -5.993
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -2.909
tors. eta vs tors. theta energy: 0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -228.046309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.046309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.046309 (E_RNA)
where:
Base-Base interactions energy: -144.685
where: short stacking energy: -75.892
Base-Backbone interact. energy: -0.272
local terms energy: -83.089093
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -20.215
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: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -219.171947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.171947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.171947 (E_RNA)
where:
Base-Base interactions energy: -142.342
where: short stacking energy: -72.436
Base-Backbone interact. energy: -0.005
local terms energy: -76.824112
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -185.068688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.068688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.068688 (E_RNA)
where:
Base-Base interactions energy: -111.209
where: short stacking energy: -69.851
Base-Backbone interact. energy: -0.075
local terms energy: -73.785283
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -10.306
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: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -153.407267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.407267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.407267 (E_RNA)
where:
Base-Base interactions energy: -92.007
where: short stacking energy: -52.654
Base-Backbone interact. energy: 0.201
local terms energy: -61.601747
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -170.041108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.041108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.041108 (E_RNA)
where:
Base-Base interactions energy: -112.345
where: short stacking energy: -56.042
Base-Backbone interact. energy: 0.249
local terms energy: -57.944193
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -2.642
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: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -109.576093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.576093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.576093 (E_RNA)
where:
Base-Base interactions energy: -51.208
where: short stacking energy: -50.697
Base-Backbone interact. energy: -0.009
local terms energy: -58.359287
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -92.342109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.342109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.342109 (E_RNA)
where:
Base-Base interactions energy: -35.207
where: short stacking energy: -30.500
Base-Backbone interact. energy: -0.084
local terms energy: -57.050961
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -10.237
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: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -117.234416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.234416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.234416 (E_RNA)
where:
Base-Base interactions energy: -55.433
where: short stacking energy: -37.186
Base-Backbone interact. energy: -0.030
local terms energy: -61.771508
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.954
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: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -87.248184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.248184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.248184 (E_RNA)
where:
Base-Base interactions energy: -49.338
where: short stacking energy: -30.694
Base-Backbone interact. energy: 0.264
local terms energy: -38.174578
where:
bonds (distance) C4'-P energy: -7.285
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -83.721149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.721149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.721149 (E_RNA)
where:
Base-Base interactions energy: -32.359
where: short stacking energy: -26.858
Base-Backbone interact. energy: 0.681
local terms energy: -52.043369
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -199.950114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.950114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.950114 (E_RNA)
where:
Base-Base interactions energy: -128.930
where: short stacking energy: -59.630
Base-Backbone interact. energy: -0.355
local terms energy: -70.665670
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -14.581
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: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -220.130329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.130329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.130329 (E_RNA)
where:
Base-Base interactions energy: -139.833
where: short stacking energy: -70.559
Base-Backbone interact. energy: -0.024
local terms energy: -80.272946
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -19.903
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: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -194.542571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.542571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.542571 (E_RNA)
where:
Base-Base interactions energy: -123.525
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.479
local terms energy: -70.538857
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -171.864218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.864218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.864218 (E_RNA)
where:
Base-Base interactions energy: -101.676
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.624
local terms energy: -69.563739
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -160.942514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.942514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.942514 (E_RNA)
where:
Base-Base interactions energy: -93.614
where: short stacking energy: -41.380
Base-Backbone interact. energy: -1.044
local terms energy: -66.284047
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -103.966259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.966259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.966259 (E_RNA)
where:
Base-Base interactions energy: -56.885
where: short stacking energy: -32.382
Base-Backbone interact. energy: 0.857
local terms energy: -47.938385
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -92.279951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.279951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.279951 (E_RNA)
where:
Base-Base interactions energy: -31.822
where: short stacking energy: -31.822
Base-Backbone interact. energy: -0.395
local terms energy: -60.062929
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -4.798
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: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -94.257823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.257823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.257823 (E_RNA)
where:
Base-Base interactions energy: -38.709
where: short stacking energy: -36.364
Base-Backbone interact. energy: -0.071
local terms energy: -55.478247
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -78.584541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.584541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.584541 (E_RNA)
where:
Base-Base interactions energy: -30.379
where: short stacking energy: -30.379
Base-Backbone interact. energy: -0.028
local terms energy: -48.177345
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -79.142444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.142444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.142444 (E_RNA)
where:
Base-Base interactions energy: -28.362
where: short stacking energy: -25.544
Base-Backbone interact. energy: -0.240
local terms energy: -50.540305
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -2.829
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: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -202.988410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.988410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.988410 (E_RNA)
where:
Base-Base interactions energy: -129.402
where: short stacking energy: -70.626
Base-Backbone interact. energy: 0.529
local terms energy: -74.115595
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -18.513
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: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -182.535137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.535137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.535137 (E_RNA)
where:
Base-Base interactions energy: -116.883
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.284
local terms energy: -65.368360
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -181.701683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.701683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.701683 (E_RNA)
where:
Base-Base interactions energy: -106.807
where: short stacking energy: -58.651
Base-Backbone interact. energy: -0.031
local terms energy: -74.862809
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -163.120402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.120402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.120402 (E_RNA)
where:
Base-Base interactions energy: -100.458
where: short stacking energy: -61.782
Base-Backbone interact. energy: -0.733
local terms energy: -61.929037
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -160.466634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.466634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.466634 (E_RNA)
where:
Base-Base interactions energy: -99.229
where: short stacking energy: -48.307
Base-Backbone interact. energy: -0.478
local terms energy: -60.760071
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -99.008580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.008580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.008580 (E_RNA)
where:
Base-Base interactions energy: -46.933
where: short stacking energy: -46.390
Base-Backbone interact. energy: -0.304
local terms energy: -51.772048
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -90.465015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.465015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.465015 (E_RNA)
where:
Base-Base interactions energy: -34.570
where: short stacking energy: -32.685
Base-Backbone interact. energy: -0.401
local terms energy: -55.494678
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -95.227419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.227419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.227419 (E_RNA)
where:
Base-Base interactions energy: -45.160
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.176
local terms energy: -49.891615
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -87.458517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458517 (E_RNA)
where:
Base-Base interactions energy: -38.392
where: short stacking energy: -26.971
Base-Backbone interact. energy: -0.266
local terms energy: -48.800508
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -2.092
tors. eta vs tors. theta energy: -5.106
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: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -83.966348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.966348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.966348 (E_RNA)
where:
Base-Base interactions energy: -42.070
where: short stacking energy: -28.638
Base-Backbone interact. energy: -0.052
local terms energy: -41.845166
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -5.969
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -209.375588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.375588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.375588 (E_RNA)
where:
Base-Base interactions energy: -137.351
where: short stacking energy: -77.873
Base-Backbone interact. energy: -0.218
local terms energy: -71.805766
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -21.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -190.882812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.882812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.882812 (E_RNA)
where:
Base-Base interactions energy: -121.438
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.062
local terms energy: -69.381956
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -13.942
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: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -189.503213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.503213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.503213 (E_RNA)
where:
Base-Base interactions energy: -114.906
where: short stacking energy: -50.117
Base-Backbone interact. energy: -1.729
local terms energy: -72.868232
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -168.362955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.362955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.362955 (E_RNA)
where:
Base-Base interactions energy: -102.009
where: short stacking energy: -57.718
Base-Backbone interact. energy: -0.124
local terms energy: -66.229896
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -171.054890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.054890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.054890 (E_RNA)
where:
Base-Base interactions energy: -98.777
where: short stacking energy: -56.844
Base-Backbone interact. energy: 0.176
local terms energy: -72.454117
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.943
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: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -92.785112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.785112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.785112 (E_RNA)
where:
Base-Base interactions energy: -49.498
where: short stacking energy: -42.935
Base-Backbone interact. energy: -0.035
local terms energy: -43.252971
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -2.683
tors. eta vs tors. theta energy: -5.277
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: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -90.951001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.951001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.951001 (E_RNA)
where:
Base-Base interactions energy: -35.212
where: short stacking energy: -23.053
Base-Backbone interact. energy: 1.112
local terms energy: -56.850572
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -90.142000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.142000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.142000 (E_RNA)
where:
Base-Base interactions energy: -35.151
where: short stacking energy: -35.151
Base-Backbone interact. energy: -0.111
local terms energy: -54.880183
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -6.744
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: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -77.007001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.007001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.007001 (E_RNA)
where:
Base-Base interactions energy: -36.454
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.174
local terms energy: -40.378580
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -80.235103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.235103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.235103 (E_RNA)
where:
Base-Base interactions energy: -35.124
where: short stacking energy: -27.546
Base-Backbone interact. energy: -0.086
local terms energy: -45.025439
where:
bonds (distance) C4'-P energy: -8.320
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -213.744807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.744807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.744807 (E_RNA)
where:
Base-Base interactions energy: -134.864
where: short stacking energy: -65.521
Base-Backbone interact. energy: -0.021
local terms energy: -78.859364
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -23.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -197.124316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.124316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.124316 (E_RNA)
where:
Base-Base interactions energy: -121.337
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.708
local terms energy: -75.079510
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -178.240451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.240451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.240451 (E_RNA)
where:
Base-Base interactions energy: -110.516
where: short stacking energy: -50.330
Base-Backbone interact. energy: -1.258
local terms energy: -66.466412
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -158.306260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.306260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.306260 (E_RNA)
where:
Base-Base interactions energy: -100.213
where: short stacking energy: -49.805
Base-Backbone interact. energy: -0.289
local terms energy: -57.803593
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -7.262
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: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -186.137009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.137009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.137009 (E_RNA)
where:
Base-Base interactions energy: -114.649
where: short stacking energy: -68.240
Base-Backbone interact. energy: -0.280
local terms energy: -71.208133
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -151.916072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.916072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.916072 (E_RNA)
where:
Base-Base interactions energy: -88.983
where: short stacking energy: -44.057
Base-Backbone interact. energy: -0.301
local terms energy: -62.632974
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -11.149
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: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -87.174237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.174237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.174237 (E_RNA)
where:
Base-Base interactions energy: -42.745
where: short stacking energy: -28.332
Base-Backbone interact. energy: -0.454
local terms energy: -43.975804
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -4.147
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: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -84.283760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.283760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.283760 (E_RNA)
where:
Base-Base interactions energy: -33.852
where: short stacking energy: -19.812
Base-Backbone interact. energy: -0.837
local terms energy: -49.594208
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: 1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -83.878793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.878793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.878793 (E_RNA)
where:
Base-Base interactions energy: -27.655
where: short stacking energy: -22.646
Base-Backbone interact. energy: -0.726
local terms energy: -55.497906
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -76.538020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.538020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.538020 (E_RNA)
where:
Base-Base interactions energy: -22.736
where: short stacking energy: -19.483
Base-Backbone interact. energy: -0.090
local terms energy: -53.711542
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -217.127960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.127960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.127960 (E_RNA)
where:
Base-Base interactions energy: -136.405
where: short stacking energy: -70.277
Base-Backbone interact. energy: -0.022
local terms energy: -80.701268
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -12.924
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: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -200.454336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.454336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.454336 (E_RNA)
where:
Base-Base interactions energy: -126.951
where: short stacking energy: -68.672
Base-Backbone interact. energy: -0.003
local terms energy: -73.500589
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -5.570
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: 3, replica: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -168.473779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.473779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.473779 (E_RNA)
where:
Base-Base interactions energy: -102.937
where: short stacking energy: -46.473
Base-Backbone interact. energy: -1.652
local terms energy: -63.884509
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -197.135771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.135771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.135771 (E_RNA)
where:
Base-Base interactions energy: -121.715
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.045
local terms energy: -75.375249
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -183.411320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.411320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.411320 (E_RNA)
where:
Base-Base interactions energy: -113.268
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.074
local terms energy: -70.069505
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -144.716493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.716493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.716493 (E_RNA)
where:
Base-Base interactions energy: -85.266
where: short stacking energy: -40.006
Base-Backbone interact. energy: -0.167
local terms energy: -59.284321
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -9.242
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: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -122.548487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.548487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.548487 (E_RNA)
where:
Base-Base interactions energy: -63.860
where: short stacking energy: -39.708
Base-Backbone interact. energy: -0.766
local terms energy: -57.922356
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -86.430064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.430064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.430064 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -27.880
Base-Backbone interact. energy: -0.222
local terms energy: -52.015126
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -82.982613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.982613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.982613 (E_RNA)
where:
Base-Base interactions energy: -33.396
where: short stacking energy: -26.130
Base-Backbone interact. energy: -0.260
local terms energy: -49.326072
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -82.473096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.473096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.473096 (E_RNA)
where:
Base-Base interactions energy: -43.091
where: short stacking energy: -33.205
Base-Backbone interact. energy: -0.088
local terms energy: -39.293306
where:
bonds (distance) C4'-P energy: -6.359
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -209.376807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.376807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.376807 (E_RNA)
where:
Base-Base interactions energy: -127.294
where: short stacking energy: -66.306
Base-Backbone interact. energy: -0.242
local terms energy: -81.840401
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -190.303245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.303245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.303245 (E_RNA)
where:
Base-Base interactions energy: -110.727
where: short stacking energy: -59.651
Base-Backbone interact. energy: 1.262
local terms energy: -80.838637
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -165.256085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.256085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.256085 (E_RNA)
where:
Base-Base interactions energy: -94.647
where: short stacking energy: -57.895
Base-Backbone interact. energy: 1.178
local terms energy: -71.786680
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -188.725387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.725387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.725387 (E_RNA)
where:
Base-Base interactions energy: -111.493
where: short stacking energy: -52.153
Base-Backbone interact. energy: -1.240
local terms energy: -75.992378
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -196.717183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.717183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.717183 (E_RNA)
where:
Base-Base interactions energy: -127.777
where: short stacking energy: -66.596
Base-Backbone interact. energy: -0.093
local terms energy: -68.847602
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -155.304693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.304693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.304693 (E_RNA)
where:
Base-Base interactions energy: -97.082
where: short stacking energy: -42.487
Base-Backbone interact. energy: -0.050
local terms energy: -58.172900
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -8.631
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -100.100955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.100955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.100955 (E_RNA)
where:
Base-Base interactions energy: -47.522
where: short stacking energy: -47.522
Base-Backbone interact. energy: 0.604
local terms energy: -53.182515
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -83.445275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445275 (E_RNA)
where:
Base-Base interactions energy: -31.482
where: short stacking energy: -29.820
Base-Backbone interact. energy: -0.761
local terms energy: -51.201703
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -84.616288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.616288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.616288 (E_RNA)
where:
Base-Base interactions energy: -34.025
where: short stacking energy: -34.025
Base-Backbone interact. energy: -0.313
local terms energy: -50.277976
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -72.672703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.672703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.672703 (E_RNA)
where:
Base-Base interactions energy: -26.936
where: short stacking energy: -21.102
Base-Backbone interact. energy: -0.310
local terms energy: -45.426930
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: 0.621
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: 146
Temperature: 0.900000
Total energy: -216.430906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.430906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.430906 (E_RNA)
where:
Base-Base interactions energy: -132.788
where: short stacking energy: -68.909
Base-Backbone interact. energy: -0.009
local terms energy: -83.634573
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -187.263567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.263567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.263567 (E_RNA)
where:
Base-Base interactions energy: -120.648
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.092
local terms energy: -66.523741
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -18.374
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: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -196.550019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.550019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.550019 (E_RNA)
where:
Base-Base interactions energy: -121.248
where: short stacking energy: -64.603
Base-Backbone interact. energy: 0.200
local terms energy: -75.501417
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -21.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -172.780383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.780383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.780383 (E_RNA)
where:
Base-Base interactions energy: -97.992
where: short stacking energy: -60.180
Base-Backbone interact. energy: 0.360
local terms energy: -75.148055
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -12.690
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: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -180.550970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.550970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.550970 (E_RNA)
where:
Base-Base interactions energy: -120.370
where: short stacking energy: -60.989
Base-Backbone interact. energy: 0.041
local terms energy: -60.221932
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -9.628
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: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -174.343040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.343040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.343040 (E_RNA)
where:
Base-Base interactions energy: -107.430
where: short stacking energy: -60.764
Base-Backbone interact. energy: -0.008
local terms energy: -66.904976
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -18.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -104.962770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.962770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.962770 (E_RNA)
where:
Base-Base interactions energy: -42.513
where: short stacking energy: -40.078
Base-Backbone interact. energy: -0.310
local terms energy: -62.139636
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -9.908
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: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -90.195833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.195833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.195833 (E_RNA)
where:
Base-Base interactions energy: -36.448
where: short stacking energy: -36.448
Base-Backbone interact. energy: 1.054
local terms energy: -54.801574
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -84.279274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.279274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.279274 (E_RNA)
where:
Base-Base interactions energy: -31.363
where: short stacking energy: -25.686
Base-Backbone interact. energy: 0.237
local terms energy: -53.153463
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -104.762028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.762028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.762028 (E_RNA)
where:
Base-Base interactions energy: -53.928
where: short stacking energy: -30.066
Base-Backbone interact. energy: -1.168
local terms energy: -49.665933
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -9.466
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: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -212.211613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.211613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.211613 (E_RNA)
where:
Base-Base interactions energy: -131.429
where: short stacking energy: -71.912
Base-Backbone interact. energy: -0.050
local terms energy: -80.733202
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -205.457836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.457836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.457836 (E_RNA)
where:
Base-Base interactions energy: -127.166
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.024
local terms energy: -78.268072
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -192.414319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.414319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.414319 (E_RNA)
where:
Base-Base interactions energy: -121.510
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.107
local terms energy: -70.797010
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -156.992516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.992516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.992516 (E_RNA)
where:
Base-Base interactions energy: -84.366
where: short stacking energy: -49.430
Base-Backbone interact. energy: -1.969
local terms energy: -70.657826
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -155.334798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.334798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.334798 (E_RNA)
where:
Base-Base interactions energy: -101.329
where: short stacking energy: -50.663
Base-Backbone interact. energy: -0.147
local terms energy: -53.859638
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -5.362
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: 147
Temperature: 1.150000
Total energy: -165.539950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.539950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.539950 (E_RNA)
where:
Base-Base interactions energy: -98.287
where: short stacking energy: -50.978
Base-Backbone interact. energy: -0.054
local terms energy: -67.198975
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -105.923405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.923405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.923405 (E_RNA)
where:
Base-Base interactions energy: -45.573
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.298
local terms energy: -60.053293
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -8.734
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: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -89.898016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.898016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.898016 (E_RNA)
where:
Base-Base interactions energy: -45.012
where: short stacking energy: -18.233
Base-Backbone interact. energy: -0.334
local terms energy: -44.551886
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -6.114
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -74.436637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.436637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.436637 (E_RNA)
where:
Base-Base interactions energy: -25.041
where: short stacking energy: -24.193
Base-Backbone interact. energy: -0.466
local terms energy: -48.929862
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -83.922782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.922782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.922782 (E_RNA)
where:
Base-Base interactions energy: -31.464
where: short stacking energy: -28.802
Base-Backbone interact. energy: -0.335
local terms energy: -52.122884
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -215.618815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.618815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.618815 (E_RNA)
where:
Base-Base interactions energy: -142.611
where: short stacking energy: -67.814
Base-Backbone interact. energy: -0.052
local terms energy: -72.956209
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -207.214947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.214947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.214947 (E_RNA)
where:
Base-Base interactions energy: -128.694
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.071
local terms energy: -78.449918
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -20.906
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: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -190.634315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.634315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.634315 (E_RNA)
where:
Base-Base interactions energy: -112.208
where: short stacking energy: -62.557
Base-Backbone interact. energy: -1.096
local terms energy: -77.330208
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -160.533558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.533558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.533558 (E_RNA)
where:
Base-Base interactions energy: -100.414
where: short stacking energy: -50.357
Base-Backbone interact. energy: -0.065
local terms energy: -60.054997
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -161.290962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.290962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.290962 (E_RNA)
where:
Base-Base interactions energy: -98.894
where: short stacking energy: -49.959
Base-Backbone interact. energy: 2.298
local terms energy: -64.695367
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -142.664776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.664776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.664776 (E_RNA)
where:
Base-Base interactions energy: -80.807
where: short stacking energy: -36.010
Base-Backbone interact. energy: -0.099
local terms energy: -61.758165
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -9.637
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: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -100.826776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.826776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.826776 (E_RNA)
where:
Base-Base interactions energy: -40.926
where: short stacking energy: -38.942
Base-Backbone interact. energy: -0.175
local terms energy: -59.725574
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -92.077644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.077644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.077644 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -32.838
Base-Backbone interact. energy: -0.474
local terms energy: -51.905115
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -85.154689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.154689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.154689 (E_RNA)
where:
Base-Base interactions energy: -36.704
where: short stacking energy: -29.085
Base-Backbone interact. energy: 1.375
local terms energy: -49.825776
where:
bonds (distance) C4'-P energy: -3.612
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -8.333
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: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -92.312600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.312600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.312600 (E_RNA)
where:
Base-Base interactions energy: -42.793
where: short stacking energy: -17.568
Base-Backbone interact. energy: -1.042
local terms energy: -48.477974
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -0.617
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: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -217.688098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.688098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.688098 (E_RNA)
where:
Base-Base interactions energy: -141.862
where: short stacking energy: -74.249
Base-Backbone interact. energy: 0.837
local terms energy: -76.662408
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -196.168013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.168013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.168013 (E_RNA)
where:
Base-Base interactions energy: -118.011
where: short stacking energy: -68.333
Base-Backbone interact. energy: 0.413
local terms energy: -78.569269
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.814
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: 149
Temperature: 1.000000
Total energy: -195.794355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.794355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.794355 (E_RNA)
where:
Base-Base interactions energy: -126.892
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.005
local terms energy: -68.897940
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -171.940163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.940163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.940163 (E_RNA)
where:
Base-Base interactions energy: -103.327
where: short stacking energy: -51.638
Base-Backbone interact. energy: -0.064
local terms energy: -68.549172
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -13.804
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: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -157.834328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.834328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.834328 (E_RNA)
where:
Base-Base interactions energy: -94.134
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.921
local terms energy: -62.778907
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -136.945363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.945363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.945363 (E_RNA)
where:
Base-Base interactions energy: -74.405
where: short stacking energy: -41.832
Base-Backbone interact. energy: -0.397
local terms energy: -62.143167
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -8.386
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: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -93.754735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.754735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.754735 (E_RNA)
where:
Base-Base interactions energy: -41.812
where: short stacking energy: -41.812
Base-Backbone interact. energy: -0.118
local terms energy: -51.824613
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -82.398807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.398807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.398807 (E_RNA)
where:
Base-Base interactions energy: -49.387
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.360
local terms energy: -32.651827
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: 0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -102.882693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.882693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.882693 (E_RNA)
where:
Base-Base interactions energy: -48.096
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.078
local terms energy: -54.708841
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -67.996448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.996448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.996448 (E_RNA)
where:
Base-Base interactions energy: -21.069
where: short stacking energy: -21.069
Base-Backbone interact. energy: 0.083
local terms energy: -47.011186
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -6.981
flat angles P-C4'-P energy: -8.698
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: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -226.711223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.711223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.711223 (E_RNA)
where:
Base-Base interactions energy: -147.944
where: short stacking energy: -74.284
Base-Backbone interact. energy: -0.004
local terms energy: -78.763385
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -195.169653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.169653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.169653 (E_RNA)
where:
Base-Base interactions energy: -117.520
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.456
local terms energy: -77.194440
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -192.941414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.941414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.941414 (E_RNA)
where:
Base-Base interactions energy: -122.639
where: short stacking energy: -67.149
Base-Backbone interact. energy: -1.242
local terms energy: -69.060119
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -190.424154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.424154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.424154 (E_RNA)
where:
Base-Base interactions energy: -117.377
where: short stacking energy: -59.261
Base-Backbone interact. energy: -1.374
local terms energy: -71.673553
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -156.599743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.599743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.599743 (E_RNA)
where:
Base-Base interactions energy: -99.090
where: short stacking energy: -52.004
Base-Backbone interact. energy: -0.583
local terms energy: -56.926659
where:
bonds (distance) C4'-P energy: -8.368
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -132.746252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.746252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.746252 (E_RNA)
where:
Base-Base interactions energy: -74.481
where: short stacking energy: -48.887
Base-Backbone interact. energy: -0.078
local terms energy: -58.186728
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -100.833670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.833670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.833670 (E_RNA)
where:
Base-Base interactions energy: -45.837
where: short stacking energy: -31.684
Base-Backbone interact. energy: -0.052
local terms energy: -54.944083
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -8.631
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: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -97.907709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.907709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.907709 (E_RNA)
where:
Base-Base interactions energy: -42.198
where: short stacking energy: -38.839
Base-Backbone interact. energy: 0.672
local terms energy: -56.382218
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -89.098220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.098220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.098220 (E_RNA)
where:
Base-Base interactions energy: -42.997
where: short stacking energy: -36.661
Base-Backbone interact. energy: -0.092
local terms energy: -46.008962
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -8.532
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -11.140
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: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -78.519961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.519961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.519961 (E_RNA)
where:
Base-Base interactions energy: -28.016
where: short stacking energy: -27.376
Base-Backbone interact. energy: 0.927
local terms energy: -51.431304
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -215.057883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.057883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.057883 (E_RNA)
where:
Base-Base interactions energy: -142.990
where: short stacking energy: -64.846
Base-Backbone interact. energy: -0.000
local terms energy: -72.067713
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -192.261583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.261583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.261583 (E_RNA)
where:
Base-Base interactions energy: -120.181
where: short stacking energy: -58.893
Base-Backbone interact. energy: -0.045
local terms energy: -72.035158
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -193.949028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.949028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.949028 (E_RNA)
where:
Base-Base interactions energy: -122.817
where: short stacking energy: -59.572
Base-Backbone interact. energy: -1.537
local terms energy: -69.594819
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -202.740844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.740844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.740844 (E_RNA)
where:
Base-Base interactions energy: -129.981
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.282
local terms energy: -72.477660
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -19.607
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: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -160.157946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.157946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.157946 (E_RNA)
where:
Base-Base interactions energy: -98.621
where: short stacking energy: -57.179
Base-Backbone interact. energy: -0.379
local terms energy: -61.157942
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -160.174835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.174835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.174835 (E_RNA)
where:
Base-Base interactions energy: -104.953
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.229
local terms energy: -54.993252
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -116.708746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.708746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.708746 (E_RNA)
where:
Base-Base interactions energy: -66.502
where: short stacking energy: -42.165
Base-Backbone interact. energy: -0.927
local terms energy: -49.280422
where:
bonds (distance) C4'-P energy: -5.503
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -7.317
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: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -98.879257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.879257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.879257 (E_RNA)
where:
Base-Base interactions energy: -42.936
where: short stacking energy: -42.898
Base-Backbone interact. energy: -0.884
local terms energy: -55.059486
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -80.029178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.029178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.029178 (E_RNA)
where:
Base-Base interactions energy: -30.337
where: short stacking energy: -17.716
Base-Backbone interact. energy: -0.132
local terms energy: -49.559832
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.162
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: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -87.005449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.005449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.005449 (E_RNA)
where:
Base-Base interactions energy: -35.966
where: short stacking energy: -23.430
Base-Backbone interact. energy: 0.035
local terms energy: -51.074159
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -2.315
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: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -227.158204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.158204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.158204 (E_RNA)
where:
Base-Base interactions energy: -148.369
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.368
local terms energy: -78.421602
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -194.742260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.742260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.742260 (E_RNA)
where:
Base-Base interactions energy: -121.668
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.070
local terms energy: -73.004331
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -19.498
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: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -204.829942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.829942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.829942 (E_RNA)
where:
Base-Base interactions energy: -129.796
where: short stacking energy: -66.429
Base-Backbone interact. energy: -0.023
local terms energy: -75.010797
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -193.853271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.853271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.853271 (E_RNA)
where:
Base-Base interactions energy: -123.424
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.018
local terms energy: -70.411084
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -10.647
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: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -159.403905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.403905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.403905 (E_RNA)
where:
Base-Base interactions energy: -97.230
where: short stacking energy: -52.921
Base-Backbone interact. energy: -0.862
local terms energy: -61.312145
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -12.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -139.461746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.461746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.461746 (E_RNA)
where:
Base-Base interactions energy: -76.808
where: short stacking energy: -41.742
Base-Backbone interact. energy: -0.078
local terms energy: -62.575257
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -97.862857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.862857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.862857 (E_RNA)
where:
Base-Base interactions energy: -40.200
where: short stacking energy: -40.200
Base-Backbone interact. energy: -0.000
local terms energy: -57.662194
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -92.588064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.588064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.588064 (E_RNA)
where:
Base-Base interactions energy: -39.151
where: short stacking energy: -17.898
Base-Backbone interact. energy: -0.220
local terms energy: -53.216379
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -0.791
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: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -111.732217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.732217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.732217 (E_RNA)
where:
Base-Base interactions energy: -62.653
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.197
local terms energy: -48.881523
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -0.978
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -80.315759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.315759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.315759 (E_RNA)
where:
Base-Base interactions energy: -37.212
where: short stacking energy: -32.099
Base-Backbone interact. energy: -0.050
local terms energy: -43.054253
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -222.721237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.721237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.721237 (E_RNA)
where:
Base-Base interactions energy: -141.110
where: short stacking energy: -67.694
Base-Backbone interact. energy: -0.001
local terms energy: -81.610245
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -208.090428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.090428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.090428 (E_RNA)
where:
Base-Base interactions energy: -132.715
where: short stacking energy: -62.165
Base-Backbone interact. energy: -0.073
local terms energy: -75.302365
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -15.329
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: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -178.661037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.661037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.661037 (E_RNA)
where:
Base-Base interactions energy: -110.919
where: short stacking energy: -55.016
Base-Backbone interact. energy: -0.181
local terms energy: -67.560836
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -16.810
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: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -170.817523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.817523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.817523 (E_RNA)
where:
Base-Base interactions energy: -105.627
where: short stacking energy: -57.290
Base-Backbone interact. energy: -0.016
local terms energy: -65.174548
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -12.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -184.430920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.430920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.430920 (E_RNA)
where:
Base-Base interactions energy: -116.480
where: short stacking energy: -62.586
Base-Backbone interact. energy: -0.031
local terms energy: -67.920083
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -11.459
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: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -106.077534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.077534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.077534 (E_RNA)
where:
Base-Base interactions energy: -55.650
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.083
local terms energy: -50.344071
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -165.976620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.976620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.976620 (E_RNA)
where:
Base-Base interactions energy: -96.132
where: short stacking energy: -50.462
Base-Backbone interact. energy: -0.122
local terms energy: -69.722787
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -121.966224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.966224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.966224 (E_RNA)
where:
Base-Base interactions energy: -75.716
where: short stacking energy: -37.519
Base-Backbone interact. energy: -0.355
local terms energy: -45.895316
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -97.289666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.289666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.289666 (E_RNA)
where:
Base-Base interactions energy: -43.712
where: short stacking energy: -25.782
Base-Backbone interact. energy: -0.274
local terms energy: -53.304090
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -83.759289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.759289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.759289 (E_RNA)
where:
Base-Base interactions energy: -35.394
where: short stacking energy: -33.413
Base-Backbone interact. energy: -0.151
local terms energy: -48.214319
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: 1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -223.521197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.521197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.521197 (E_RNA)
where:
Base-Base interactions energy: -143.297
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.000
local terms energy: -80.223840
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -193.747220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.747220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.747220 (E_RNA)
where:
Base-Base interactions energy: -126.529
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.001
local terms energy: -67.217503
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -11.246
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: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -178.755247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.755247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.755247 (E_RNA)
where:
Base-Base interactions energy: -114.458
where: short stacking energy: -63.700
Base-Backbone interact. energy: -0.105
local terms energy: -64.192880
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -156.163890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.163890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.163890 (E_RNA)
where:
Base-Base interactions energy: -96.167
where: short stacking energy: -51.122
Base-Backbone interact. energy: -0.515
local terms energy: -59.482156
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -169.770289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.770289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.770289 (E_RNA)
where:
Base-Base interactions energy: -101.528
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.054
local terms energy: -68.188371
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.410
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: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -135.543484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.543484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.543484 (E_RNA)
where:
Base-Base interactions energy: -78.101
where: short stacking energy: -44.878
Base-Backbone interact. energy: -2.624
local terms energy: -54.819401
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -157.126154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.126154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.126154 (E_RNA)
where:
Base-Base interactions energy: -102.173
where: short stacking energy: -50.260
Base-Backbone interact. energy: 0.756
local terms energy: -55.708389
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -83.905677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.905677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.905677 (E_RNA)
where:
Base-Base interactions energy: -37.906
where: short stacking energy: -15.960
Base-Backbone interact. energy: -0.242
local terms energy: -45.757961
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -1.976
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: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -83.367305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367305 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -29.095
Base-Backbone interact. energy: 0.227
local terms energy: -54.498932
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -84.750280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.750280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.750280 (E_RNA)
where:
Base-Base interactions energy: -39.401
where: short stacking energy: -36.392
Base-Backbone interact. energy: -0.139
local terms energy: -45.210937
where:
bonds (distance) C4'-P energy: -5.865
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -0.567
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: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -210.529625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.529625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.529625 (E_RNA)
where:
Base-Base interactions energy: -134.920
where: short stacking energy: -62.727
Base-Backbone interact. energy: -0.001
local terms energy: -75.608686
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -12.811
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: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -196.628316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.628316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.628316 (E_RNA)
where:
Base-Base interactions energy: -123.235
where: short stacking energy: -51.199
Base-Backbone interact. energy: -0.196
local terms energy: -73.197349
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -11.834
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: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -176.281319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.281319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.281319 (E_RNA)
where:
Base-Base interactions energy: -110.146
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.010
local terms energy: -66.125371
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -169.106668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.106668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.106668 (E_RNA)
where:
Base-Base interactions energy: -103.304
where: short stacking energy: -56.319
Base-Backbone interact. energy: -1.242
local terms energy: -64.561069
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -162.749723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.749723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.749723 (E_RNA)
where:
Base-Base interactions energy: -100.278
where: short stacking energy: -52.335
Base-Backbone interact. energy: -0.419
local terms energy: -62.052237
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -154.479775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.479775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.479775 (E_RNA)
where:
Base-Base interactions energy: -93.538
where: short stacking energy: -39.341
Base-Backbone interact. energy: 0.669
local terms energy: -61.610485
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -137.049742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.049742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.049742 (E_RNA)
where:
Base-Base interactions energy: -78.195
where: short stacking energy: -39.471
Base-Backbone interact. energy: -0.612
local terms energy: -58.243219
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -93.659535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.659535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.659535 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.066
local terms energy: -50.344071
where:
bonds (distance) C4'-P energy: -7.328
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.737
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: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -76.337858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.337858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.337858 (E_RNA)
where:
Base-Base interactions energy: -30.216
where: short stacking energy: -26.578
Base-Backbone interact. energy: 0.699
local terms energy: -46.821115
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -1.611
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: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -83.175429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.175429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.175429 (E_RNA)
where:
Base-Base interactions energy: -39.659
where: short stacking energy: -34.783
Base-Backbone interact. energy: -0.027
local terms energy: -43.489037
where:
bonds (distance) C4'-P energy: -7.164
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -206.362465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.362465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.362465 (E_RNA)
where:
Base-Base interactions energy: -132.774
where: short stacking energy: -60.182
Base-Backbone interact. energy: -0.418
local terms energy: -73.170499
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -16.465
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: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -211.605446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.605446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.605446 (E_RNA)
where:
Base-Base interactions energy: -140.895
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.002
local terms energy: -70.709119
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -177.855203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.855203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.855203 (E_RNA)
where:
Base-Base interactions energy: -112.984
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.109
local terms energy: -64.762094
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -9.900
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: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -190.176031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.176031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.176031 (E_RNA)
where:
Base-Base interactions energy: -126.638
where: short stacking energy: -49.540
Base-Backbone interact. energy: -0.491
local terms energy: -63.046856
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -10.554
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: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -159.264240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.264240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.264240 (E_RNA)
where:
Base-Base interactions energy: -97.014
where: short stacking energy: -51.469
Base-Backbone interact. energy: -0.456
local terms energy: -61.794452
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -163.281479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.281479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.281479 (E_RNA)
where:
Base-Base interactions energy: -92.372
where: short stacking energy: -53.594
Base-Backbone interact. energy: -0.005
local terms energy: -70.905119
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -141.165757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.165757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.165757 (E_RNA)
where:
Base-Base interactions energy: -79.128
where: short stacking energy: -40.897
Base-Backbone interact. energy: 0.006
local terms energy: -62.043658
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -87.592557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.592557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.592557 (E_RNA)
where:
Base-Base interactions energy: -28.762
where: short stacking energy: -27.464
Base-Backbone interact. energy: -0.389
local terms energy: -58.441312
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -79.822498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.822498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.822498 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -26.147
Base-Backbone interact. energy: -0.203
local terms energy: -48.005248
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -82.497516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.497516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.497516 (E_RNA)
where:
Base-Base interactions energy: -27.821
where: short stacking energy: -25.635
Base-Backbone interact. energy: -0.446
local terms energy: -54.230770
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -207.563448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.563448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.563448 (E_RNA)
where:
Base-Base interactions energy: -137.580
where: short stacking energy: -53.923
Base-Backbone interact. energy: -0.027
local terms energy: -69.956361
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -14.159
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: 157
Temperature: 0.950000
Total energy: -213.855955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.855955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.855955 (E_RNA)
where:
Base-Base interactions energy: -142.001
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.000
local terms energy: -71.854936
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -9.723
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -176.769828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.769828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.769828 (E_RNA)
where:
Base-Base interactions energy: -107.679
where: short stacking energy: -54.582
Base-Backbone interact. energy: -0.031
local terms energy: -69.060209
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -177.856964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.856964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.856964 (E_RNA)
where:
Base-Base interactions energy: -111.776
where: short stacking energy: -50.815
Base-Backbone interact. energy: 1.456
local terms energy: -67.537440
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -174.394289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.394289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.394289 (E_RNA)
where:
Base-Base interactions energy: -108.817
where: short stacking energy: -49.672
Base-Backbone interact. energy: -1.298
local terms energy: -64.279055
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -141.835680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.835680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.835680 (E_RNA)
where:
Base-Base interactions energy: -90.131
where: short stacking energy: -43.683
Base-Backbone interact. energy: -0.497
local terms energy: -51.207399
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -9.779
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: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -155.516216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.516216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.516216 (E_RNA)
where:
Base-Base interactions energy: -94.319
where: short stacking energy: -43.463
Base-Backbone interact. energy: -1.068
local terms energy: -60.129165
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -13.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -93.399149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.399149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.399149 (E_RNA)
where:
Base-Base interactions energy: -36.716
where: short stacking energy: -24.871
Base-Backbone interact. energy: -0.264
local terms energy: -56.418817
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -83.652045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652045 (E_RNA)
where:
Base-Base interactions energy: -37.974
where: short stacking energy: -37.974
Base-Backbone interact. energy: -0.012
local terms energy: -45.666017
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -79.913561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.913561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.913561 (E_RNA)
where:
Base-Base interactions energy: -34.784
where: short stacking energy: -27.305
Base-Backbone interact. energy: -0.741
local terms energy: -44.388002
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: 1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -225.546604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.546604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.546604 (E_RNA)
where:
Base-Base interactions energy: -149.141
where: short stacking energy: -76.259
Base-Backbone interact. energy: -0.000
local terms energy: -76.405047
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -206.554621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.554621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.554621 (E_RNA)
where:
Base-Base interactions energy: -142.482
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.048
local terms energy: -64.024474
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -11.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -178.090550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.090550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.090550 (E_RNA)
where:
Base-Base interactions energy: -113.995
where: short stacking energy: -63.799
Base-Backbone interact. energy: -0.498
local terms energy: -63.597435
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -162.651284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.651284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.651284 (E_RNA)
where:
Base-Base interactions energy: -108.453
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.256
local terms energy: -53.942422
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -179.725701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.725701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.725701 (E_RNA)
where:
Base-Base interactions energy: -108.987
where: short stacking energy: -54.270
Base-Backbone interact. energy: -0.073
local terms energy: -70.665739
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -158.909169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.909169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.909169 (E_RNA)
where:
Base-Base interactions energy: -99.509
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.122
local terms energy: -59.277853
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -154.632831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.632831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.632831 (E_RNA)
where:
Base-Base interactions energy: -99.068
where: short stacking energy: -53.862
Base-Backbone interact. energy: -0.001
local terms energy: -55.563578
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -11.740
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: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -95.155292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.155292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.155292 (E_RNA)
where:
Base-Base interactions energy: -41.967
where: short stacking energy: -32.812
Base-Backbone interact. energy: -0.642
local terms energy: -52.546221
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -92.760620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.760620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.760620 (E_RNA)
where:
Base-Base interactions energy: -43.095
where: short stacking energy: -37.153
Base-Backbone interact. energy: -0.110
local terms energy: -49.555839
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -7.291
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: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -80.847865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.847865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.847865 (E_RNA)
where:
Base-Base interactions energy: -29.024
where: short stacking energy: -25.523
Base-Backbone interact. energy: -0.214
local terms energy: -51.610199
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -220.002041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.002041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.002041 (E_RNA)
where:
Base-Base interactions energy: -139.065
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.002
local terms energy: -80.935685
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -18.078
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: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -182.322670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.322670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.322670 (E_RNA)
where:
Base-Base interactions energy: -117.197
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.516
local terms energy: -64.609685
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -202.959603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.959603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.959603 (E_RNA)
where:
Base-Base interactions energy: -134.716
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.127
local terms energy: -68.116312
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -11.936
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: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -184.891437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.891437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.891437 (E_RNA)
where:
Base-Base interactions energy: -118.936
where: short stacking energy: -66.135
Base-Backbone interact. energy: -0.139
local terms energy: -65.816614
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -174.870699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.870699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.870699 (E_RNA)
where:
Base-Base interactions energy: -127.405
where: short stacking energy: -36.955
Base-Backbone interact. energy: -0.570
local terms energy: -46.895677
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -8.212
flat angles P-C4'-P energy: -1.370
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: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -160.796691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.796691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.796691 (E_RNA)
where:
Base-Base interactions energy: -95.278
where: short stacking energy: -52.144
Base-Backbone interact. energy: -0.729
local terms energy: -64.789299
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -11.395
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: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -153.154322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.154322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.154322 (E_RNA)
where:
Base-Base interactions energy: -86.277
where: short stacking energy: -46.410
Base-Backbone interact. energy: -0.481
local terms energy: -66.396039
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -8.456
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: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -79.154794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.154794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.154794 (E_RNA)
where:
Base-Base interactions energy: -32.657
where: short stacking energy: -23.611
Base-Backbone interact. energy: -0.193
local terms energy: -46.304646
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -79.942754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.942754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.942754 (E_RNA)
where:
Base-Base interactions energy: -28.683
where: short stacking energy: -24.199
Base-Backbone interact. energy: -0.042
local terms energy: -51.217925
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -81.258693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.258693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.258693 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -29.589
Base-Backbone interact. energy: -0.666
local terms energy: -35.298424
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -7.060
flat angles C4'-P-C4' energy: -4.788
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -219.707507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.707507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.707507 (E_RNA)
where:
Base-Base interactions energy: -144.732
where: short stacking energy: -77.508
Base-Backbone interact. energy: -0.008
local terms energy: -74.967906
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -183.138252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.138252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.138252 (E_RNA)
where:
Base-Base interactions energy: -121.526
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.167
local terms energy: -61.445120
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -11.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -201.749112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.749112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.749112 (E_RNA)
where:
Base-Base interactions energy: -136.255
where: short stacking energy: -48.914
Base-Backbone interact. energy: -0.120
local terms energy: -65.374478
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -190.249124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.249124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.249124 (E_RNA)
where:
Base-Base interactions energy: -114.513
where: short stacking energy: -62.899
Base-Backbone interact. energy: -0.493
local terms energy: -75.243473
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -178.831085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.831085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.831085 (E_RNA)
where:
Base-Base interactions energy: -115.857
where: short stacking energy: -53.480
Base-Backbone interact. energy: -0.619
local terms energy: -62.355289
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -159.163435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.163435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.163435 (E_RNA)
where:
Base-Base interactions energy: -114.561
where: short stacking energy: -33.133
Base-Backbone interact. energy: -0.613
local terms energy: -43.989583
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -155.900496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.900496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.900496 (E_RNA)
where:
Base-Base interactions energy: -94.965
where: short stacking energy: -41.917
Base-Backbone interact. energy: -0.147
local terms energy: -60.788157
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -7.652
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: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -95.690082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.690082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.690082 (E_RNA)
where:
Base-Base interactions energy: -40.464
where: short stacking energy: -34.622
Base-Backbone interact. energy: -0.702
local terms energy: -54.523498
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -82.249796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.249796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.249796 (E_RNA)
where:
Base-Base interactions energy: -28.146
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.076
local terms energy: -54.027607
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -84.040102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.040102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.040102 (E_RNA)
where:
Base-Base interactions energy: -21.372
where: short stacking energy: -21.372
Base-Backbone interact. energy: -0.331
local terms energy: -62.337011
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.301
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: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -221.718012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.718012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.718012 (E_RNA)
where:
Base-Base interactions energy: -143.725
where: short stacking energy: -74.036
Base-Backbone interact. energy: -0.006
local terms energy: -77.986975
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -19.417
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: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -212.428298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.428298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.428298 (E_RNA)
where:
Base-Base interactions energy: -138.766
where: short stacking energy: -52.162
Base-Backbone interact. energy: -0.113
local terms energy: -73.549631
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -167.348587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.348587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.348587 (E_RNA)
where:
Base-Base interactions energy: -105.541
where: short stacking energy: -54.272
Base-Backbone interact. energy: -0.213
local terms energy: -61.594665
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -7.327
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: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -178.897487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.897487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.897487 (E_RNA)
where:
Base-Base interactions energy: -112.113
where: short stacking energy: -61.264
Base-Backbone interact. energy: -0.114
local terms energy: -66.670333
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -186.196573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.196573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.196573 (E_RNA)
where:
Base-Base interactions energy: -110.913
where: short stacking energy: -63.235
Base-Backbone interact. energy: -0.099
local terms energy: -75.184755
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -182.413918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.413918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.413918 (E_RNA)
where:
Base-Base interactions energy: -113.528
where: short stacking energy: -64.360
Base-Backbone interact. energy: -0.001
local terms energy: -68.885535
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -112.613413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.613413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.613413 (E_RNA)
where:
Base-Base interactions energy: -69.074
where: short stacking energy: -37.733
Base-Backbone interact. energy: 0.790
local terms energy: -44.329284
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -87.132454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.132454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.132454 (E_RNA)
where:
Base-Base interactions energy: -29.489
where: short stacking energy: -29.489
Base-Backbone interact. energy: -0.014
local terms energy: -57.629062
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -78.196365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.196365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.196365 (E_RNA)
where:
Base-Base interactions energy: -29.170
where: short stacking energy: -21.292
Base-Backbone interact. energy: 4.228
local terms energy: -53.254950
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -77.679750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.679750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.679750 (E_RNA)
where:
Base-Base interactions energy: -36.185
where: short stacking energy: -32.614
Base-Backbone interact. energy: -0.095
local terms energy: -41.400269
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -211.137945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.137945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.137945 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -56.495
Base-Backbone interact. energy: 0.101
local terms energy: -76.770602
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -12.934
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: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -222.352076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.352076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.352076 (E_RNA)
where:
Base-Base interactions energy: -137.911
where: short stacking energy: -68.017
Base-Backbone interact. energy: -0.299
local terms energy: -84.142249
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -192.506418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.506418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.506418 (E_RNA)
where:
Base-Base interactions energy: -125.832
where: short stacking energy: -63.671
Base-Backbone interact. energy: -0.940
local terms energy: -65.733680
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -168.331518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.331518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.331518 (E_RNA)
where:
Base-Base interactions energy: -105.327
where: short stacking energy: -56.141
Base-Backbone interact. energy: -0.234
local terms energy: -62.771054
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -147.416656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.416656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.416656 (E_RNA)
where:
Base-Base interactions energy: -81.911
where: short stacking energy: -44.791
Base-Backbone interact. energy: -0.108
local terms energy: -65.397626
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -187.257856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.257856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.257856 (E_RNA)
where:
Base-Base interactions energy: -120.644
where: short stacking energy: -60.198
Base-Backbone interact. energy: -0.115
local terms energy: -66.498230
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -94.649152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.649152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.649152 (E_RNA)
where:
Base-Base interactions energy: -44.510
where: short stacking energy: -43.425
Base-Backbone interact. energy: 1.070
local terms energy: -51.209435
where:
bonds (distance) C4'-P energy: -5.975
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -91.604728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.604728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.604728 (E_RNA)
where:
Base-Base interactions energy: -40.308
where: short stacking energy: -40.808
Base-Backbone interact. energy: 0.581
local terms energy: -51.877405
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -91.693332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.693332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.693332 (E_RNA)
where:
Base-Base interactions energy: -34.936
where: short stacking energy: -34.330
Base-Backbone interact. energy: -0.762
local terms energy: -55.995100
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -73.893680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.893680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.893680 (E_RNA)
where:
Base-Base interactions energy: -36.115
where: short stacking energy: -28.325
Base-Backbone interact. energy: 0.321
local terms energy: -38.099446
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -2.039
tors. eta vs tors. theta energy: -0.492
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: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -203.706225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.706225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.706225 (E_RNA)
where:
Base-Base interactions energy: -140.296
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.003
local terms energy: -63.407156
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -193.175330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.175330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.175330 (E_RNA)
where:
Base-Base interactions energy: -114.025
where: short stacking energy: -64.588
Base-Backbone interact. energy: -1.120
local terms energy: -78.030102
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -13.208
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: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -203.940614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.940614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.940614 (E_RNA)
where:
Base-Base interactions energy: -127.266
where: short stacking energy: -62.026
Base-Backbone interact. energy: -0.160
local terms energy: -76.514782
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -166.682634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.682634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.682634 (E_RNA)
where:
Base-Base interactions energy: -89.396
where: short stacking energy: -54.169
Base-Backbone interact. energy: -0.002
local terms energy: -77.284348
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -18.625
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: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -146.843001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.843001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.843001 (E_RNA)
where:
Base-Base interactions energy: -93.904
where: short stacking energy: -55.049
Base-Backbone interact. energy: -0.047
local terms energy: -52.892177
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -162.395425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.395425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.395425 (E_RNA)
where:
Base-Base interactions energy: -102.951
where: short stacking energy: -54.692
Base-Backbone interact. energy: -0.996
local terms energy: -58.448604
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -9.427
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -14.283
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: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -96.276425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.276425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.276425 (E_RNA)
where:
Base-Base interactions energy: -38.245
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.169
local terms energy: -57.862611
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -99.868647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.868647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.868647 (E_RNA)
where:
Base-Base interactions energy: -48.038
where: short stacking energy: -29.686
Base-Backbone interact. energy: -0.177
local terms energy: -51.653356
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -76.784288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.784288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.784288 (E_RNA)
where:
Base-Base interactions energy: -28.547
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.009
local terms energy: -48.228163
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -76.791233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.791233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.791233 (E_RNA)
where:
Base-Base interactions energy: -24.710
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.005
local terms energy: -52.076074
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: 0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -207.240839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.240839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.240839 (E_RNA)
where:
Base-Base interactions energy: -138.353
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.674
local terms energy: -68.214117
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -196.308057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.308057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.308057 (E_RNA)
where:
Base-Base interactions energy: -118.760
where: short stacking energy: -56.985
Base-Backbone interact. energy: -0.019
local terms energy: -77.529655
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -13.466
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: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -170.502191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.502191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.502191 (E_RNA)
where:
Base-Base interactions energy: -106.962
where: short stacking energy: -53.160
Base-Backbone interact. energy: -0.084
local terms energy: -63.456441
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -197.936291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.936291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.936291 (E_RNA)
where:
Base-Base interactions energy: -124.691
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.589
local terms energy: -72.655540
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -19.669
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: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -173.860988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.860988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.860988 (E_RNA)
where:
Base-Base interactions energy: -108.902
where: short stacking energy: -57.945
Base-Backbone interact. energy: 0.214
local terms energy: -65.172868
where:
bonds (distance) C4'-P energy: -5.784
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -154.193818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.193818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.193818 (E_RNA)
where:
Base-Base interactions energy: -91.676
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.099
local terms energy: -62.419477
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -11.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -108.268392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.268392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.268392 (E_RNA)
where:
Base-Base interactions energy: -45.749
where: short stacking energy: -41.368
Base-Backbone interact. energy: -0.255
local terms energy: -62.264522
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -87.212389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.212389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.212389 (E_RNA)
where:
Base-Base interactions energy: -35.257
where: short stacking energy: -33.826
Base-Backbone interact. energy: -0.116
local terms energy: -51.839837
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -79.608990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.608990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.608990 (E_RNA)
where:
Base-Base interactions energy: -32.793
where: short stacking energy: -31.295
Base-Backbone interact. energy: -0.015
local terms energy: -46.801086
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -73.405703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.405703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.405703 (E_RNA)
where:
Base-Base interactions energy: -35.144
where: short stacking energy: -25.596
Base-Backbone interact. energy: 2.025
local terms energy: -40.286171
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -202.741101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.741101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.741101 (E_RNA)
where:
Base-Base interactions energy: -128.833
where: short stacking energy: -60.826
Base-Backbone interact. energy: -1.299
local terms energy: -72.609419
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -186.225853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.225853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.225853 (E_RNA)
where:
Base-Base interactions energy: -117.105
where: short stacking energy: -65.403
Base-Backbone interact. energy: -0.003
local terms energy: -69.117095
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -15.522
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: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -190.068880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.068880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.068880 (E_RNA)
where:
Base-Base interactions energy: -124.929
where: short stacking energy: -67.125
Base-Backbone interact. energy: -0.467
local terms energy: -64.672439
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -187.114681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.114681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.114681 (E_RNA)
where:
Base-Base interactions energy: -116.837
where: short stacking energy: -63.265
Base-Backbone interact. energy: -0.009
local terms energy: -70.268778
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -167.239358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.239358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.239358 (E_RNA)
where:
Base-Base interactions energy: -104.671
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.830
local terms energy: -61.738000
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -11.261
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: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -146.004039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.004039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.004039 (E_RNA)
where:
Base-Base interactions energy: -92.496
where: short stacking energy: -52.059
Base-Backbone interact. energy: -0.369
local terms energy: -53.138060
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -9.904
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: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -115.539635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.539635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.539635 (E_RNA)
where:
Base-Base interactions energy: -64.439
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.494
local terms energy: -50.606006
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -82.907751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.907751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.907751 (E_RNA)
where:
Base-Base interactions energy: -44.188
where: short stacking energy: -38.442
Base-Backbone interact. energy: 1.709
local terms energy: -40.428901
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -88.663663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.663663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.663663 (E_RNA)
where:
Base-Base interactions energy: -39.272
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.058
local terms energy: -49.333666
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -78.920783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.920783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.920783 (E_RNA)
where:
Base-Base interactions energy: -36.716
where: short stacking energy: -32.392
Base-Backbone interact. energy: -0.515
local terms energy: -41.689539
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -3.390
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: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -183.736524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.736524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.736524 (E_RNA)
where:
Base-Base interactions energy: -121.301
where: short stacking energy: -59.364
Base-Backbone interact. energy: 2.428
local terms energy: -64.863059
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -210.368428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.368428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.368428 (E_RNA)
where:
Base-Base interactions energy: -135.954
where: short stacking energy: -54.374
Base-Backbone interact. energy: -0.153
local terms energy: -74.260553
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -201.651693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.651693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.651693 (E_RNA)
where:
Base-Base interactions energy: -126.032
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.009
local terms energy: -75.610630
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -19.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -169.137901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.137901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.137901 (E_RNA)
where:
Base-Base interactions energy: -101.509
where: short stacking energy: -47.139
Base-Backbone interact. energy: -0.007
local terms energy: -67.622540
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -176.696108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.696108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.696108 (E_RNA)
where:
Base-Base interactions energy: -117.907
where: short stacking energy: -50.225
Base-Backbone interact. energy: -0.193
local terms energy: -58.595956
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -114.771186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.771186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.771186 (E_RNA)
where:
Base-Base interactions energy: -65.117
where: short stacking energy: -34.902
Base-Backbone interact. energy: -0.256
local terms energy: -49.398996
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -106.179862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.179862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.179862 (E_RNA)
where:
Base-Base interactions energy: -48.591
where: short stacking energy: -48.591
Base-Backbone interact. energy: -0.104
local terms energy: -57.485057
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -11.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -96.387432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.387432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.387432 (E_RNA)
where:
Base-Base interactions energy: -50.204
where: short stacking energy: -23.392
Base-Backbone interact. energy: -0.513
local terms energy: -45.670761
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: 3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -84.486967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.486967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.486967 (E_RNA)
where:
Base-Base interactions energy: -31.557
where: short stacking energy: -30.058
Base-Backbone interact. energy: -0.361
local terms energy: -52.569477
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -8.271
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: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -78.254119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.254119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.254119 (E_RNA)
where:
Base-Base interactions energy: -33.505
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.164
local terms energy: -44.585811
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -6.835
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: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -198.637270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.637270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.637270 (E_RNA)
where:
Base-Base interactions energy: -119.919
where: short stacking energy: -70.268
Base-Backbone interact. energy: 0.985
local terms energy: -79.702530
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -200.705767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.705767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.705767 (E_RNA)
where:
Base-Base interactions energy: -133.268
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.160
local terms energy: -67.277739
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -188.577689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.577689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.577689 (E_RNA)
where:
Base-Base interactions energy: -122.486
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.671
local terms energy: -65.420428
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -7.329
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: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -174.194192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.194192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.194192 (E_RNA)
where:
Base-Base interactions energy: -108.852
where: short stacking energy: -54.285
Base-Backbone interact. energy: 0.723
local terms energy: -66.065222
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -13.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -179.624619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.624619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.624619 (E_RNA)
where:
Base-Base interactions energy: -104.306
where: short stacking energy: -56.844
Base-Backbone interact. energy: -0.006
local terms energy: -75.313573
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -112.712994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.712994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.712994 (E_RNA)
where:
Base-Base interactions energy: -57.638
where: short stacking energy: -53.255
Base-Backbone interact. energy: 0.847
local terms energy: -55.922589
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -9.075
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: 167
Temperature: 1.200000
Total energy: -97.093943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.093943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.093943 (E_RNA)
where:
Base-Base interactions energy: -44.984
where: short stacking energy: -28.543
Base-Backbone interact. energy: -0.018
local terms energy: -52.092709
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -105.871437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.871437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.871437 (E_RNA)
where:
Base-Base interactions energy: -56.177
where: short stacking energy: -33.258
Base-Backbone interact. energy: -0.219
local terms energy: -49.475088
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -85.157123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.157123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.157123 (E_RNA)
where:
Base-Base interactions energy: -36.547
where: short stacking energy: -32.988
Base-Backbone interact. energy: 0.307
local terms energy: -48.917489
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -6.996
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -75.678128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.678128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.678128 (E_RNA)
where:
Base-Base interactions energy: -28.579
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.525
local terms energy: -46.574011
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -186.206052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.206052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.206052 (E_RNA)
where:
Base-Base interactions energy: -120.211
where: short stacking energy: -69.589
Base-Backbone interact. energy: -0.001
local terms energy: -65.993329
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -179.630890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.630890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.630890 (E_RNA)
where:
Base-Base interactions energy: -108.259
where: short stacking energy: -49.446
Base-Backbone interact. energy: -0.368
local terms energy: -71.003248
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -201.548863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.548863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.548863 (E_RNA)
where:
Base-Base interactions energy: -132.651
where: short stacking energy: -57.783
Base-Backbone interact. energy: -0.117
local terms energy: -68.780747
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -175.304833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.304833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.304833 (E_RNA)
where:
Base-Base interactions energy: -111.706
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.029
local terms energy: -63.569729
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -167.713659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.713659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.713659 (E_RNA)
where:
Base-Base interactions energy: -95.532
where: short stacking energy: -58.080
Base-Backbone interact. energy: 0.713
local terms energy: -72.895399
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -101.845327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.845327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.845327 (E_RNA)
where:
Base-Base interactions energy: -46.876
where: short stacking energy: -38.437
Base-Backbone interact. energy: -0.039
local terms energy: -54.930304
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -8.292
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: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -131.923807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.923807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.923807 (E_RNA)
where:
Base-Base interactions energy: -71.647
where: short stacking energy: -37.332
Base-Backbone interact. energy: -0.338
local terms energy: -59.938334
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -8.009
flat angles P-C4'-P energy: -10.521
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: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -116.240066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.240066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.240066 (E_RNA)
where:
Base-Base interactions energy: -47.542
where: short stacking energy: -42.772
Base-Backbone interact. energy: -0.512
local terms energy: -68.185362
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -85.712612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.712612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.712612 (E_RNA)
where:
Base-Base interactions energy: -41.037
where: short stacking energy: -26.722
Base-Backbone interact. energy: -0.160
local terms energy: -44.515214
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -9.525
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: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -72.880715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.880715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.880715 (E_RNA)
where:
Base-Base interactions energy: -27.510
where: short stacking energy: -19.688
Base-Backbone interact. energy: -1.438
local terms energy: -43.932841
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -1.245
tors. eta vs tors. theta energy: 0.733
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: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -186.013842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.013842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.013842 (E_RNA)
where:
Base-Base interactions energy: -113.553
where: short stacking energy: -60.159
Base-Backbone interact. energy: -0.010
local terms energy: -72.450612
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -199.969590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.969590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.969590 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -56.719
Base-Backbone interact. energy: -1.120
local terms energy: -72.519528
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -186.523670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.523670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.523670 (E_RNA)
where:
Base-Base interactions energy: -113.634
where: short stacking energy: -66.174
Base-Backbone interact. energy: -0.069
local terms energy: -72.819998
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -193.890593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.890593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.890593 (E_RNA)
where:
Base-Base interactions energy: -117.244
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.049
local terms energy: -76.597243
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -169.389115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.389115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.389115 (E_RNA)
where:
Base-Base interactions energy: -101.139
where: short stacking energy: -52.673
Base-Backbone interact. energy: 0.543
local terms energy: -68.793359
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -159.497904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.497904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.497904 (E_RNA)
where:
Base-Base interactions energy: -98.744
where: short stacking energy: -53.470
Base-Backbone interact. energy: 0.353
local terms energy: -61.106624
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -10.934
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: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -102.574316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.574316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.574316 (E_RNA)
where:
Base-Base interactions energy: -46.047
where: short stacking energy: -46.561
Base-Backbone interact. energy: -0.531
local terms energy: -55.996435
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -9.498
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: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -83.932621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.932621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.932621 (E_RNA)
where:
Base-Base interactions energy: -42.664
where: short stacking energy: -12.594
Base-Backbone interact. energy: -0.035
local terms energy: -41.232830
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -0.178
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: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -87.736824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.736824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.736824 (E_RNA)
where:
Base-Base interactions energy: -38.470
where: short stacking energy: -25.025
Base-Backbone interact. energy: -1.175
local terms energy: -48.092286
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -88.880595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.880595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.880595 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -33.068
Base-Backbone interact. energy: 0.404
local terms energy: -54.452307
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -218.947322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.947322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.947322 (E_RNA)
where:
Base-Base interactions energy: -137.710
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.323
local terms energy: -80.913704
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -195.757948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.757948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.757948 (E_RNA)
where:
Base-Base interactions energy: -123.267
where: short stacking energy: -60.778
Base-Backbone interact. energy: -0.003
local terms energy: -72.488392
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -10.059
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: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -203.866897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.866897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.866897 (E_RNA)
where:
Base-Base interactions energy: -131.797
where: short stacking energy: -68.496
Base-Backbone interact. energy: -0.160
local terms energy: -71.909972
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -21.463
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: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -191.546365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.546365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.546365 (E_RNA)
where:
Base-Base interactions energy: -115.178
where: short stacking energy: -62.494
Base-Backbone interact. energy: -0.002
local terms energy: -76.366599
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.923
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: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -180.008147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.008147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.008147 (E_RNA)
where:
Base-Base interactions energy: -104.393
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.002
local terms energy: -75.612658
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -158.033390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.033390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.033390 (E_RNA)
where:
Base-Base interactions energy: -93.261
where: short stacking energy: -48.441
Base-Backbone interact. energy: 0.964
local terms energy: -65.736355
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -13.852
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: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -101.560753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.560753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.560753 (E_RNA)
where:
Base-Base interactions energy: -42.926
where: short stacking energy: -22.121
Base-Backbone interact. energy: -0.056
local terms energy: -58.578243
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -75.151546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.151546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.151546 (E_RNA)
where:
Base-Base interactions energy: -30.952
where: short stacking energy: -23.440
Base-Backbone interact. energy: 0.997
local terms energy: -45.196150
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -4.657
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: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -70.955370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.955370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.955370 (E_RNA)
where:
Base-Base interactions energy: -30.463
where: short stacking energy: -6.143
Base-Backbone interact. energy: -0.179
local terms energy: -40.313204
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: 7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -74.789249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.789249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.789249 (E_RNA)
where:
Base-Base interactions energy: -34.915
where: short stacking energy: -22.598
Base-Backbone interact. energy: -0.219
local terms energy: -39.655956
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -224.036923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.036923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.036923 (E_RNA)
where:
Base-Base interactions energy: -147.703
where: short stacking energy: -66.416
Base-Backbone interact. energy: -0.490
local terms energy: -75.844300
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -194.708708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.708708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.708708 (E_RNA)
where:
Base-Base interactions energy: -125.594
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.094
local terms energy: -69.021268
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -3.664
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: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -181.607096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.607096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.607096 (E_RNA)
where:
Base-Base interactions energy: -107.587
where: short stacking energy: -62.462
Base-Backbone interact. energy: -0.020
local terms energy: -74.000449
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -189.314414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.314414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.314414 (E_RNA)
where:
Base-Base interactions energy: -116.801
where: short stacking energy: -48.891
Base-Backbone interact. energy: -0.552
local terms energy: -71.960658
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -149.410793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.410793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.410793 (E_RNA)
where:
Base-Base interactions energy: -86.665
where: short stacking energy: -44.798
Base-Backbone interact. energy: -0.026
local terms energy: -62.720638
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -116.759023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.759023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.759023 (E_RNA)
where:
Base-Base interactions energy: -56.379
where: short stacking energy: -37.224
Base-Backbone interact. energy: -0.822
local terms energy: -59.557924
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -166.038062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.038062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.038062 (E_RNA)
where:
Base-Base interactions energy: -95.129
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.176
local terms energy: -70.733029
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -12.317
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: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -74.115523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.115523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.115523 (E_RNA)
where:
Base-Base interactions energy: -26.345
where: short stacking energy: -20.491
Base-Backbone interact. energy: 0.021
local terms energy: -47.791827
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -0.220
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: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -77.307924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.307924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.307924 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -31.829
Base-Backbone interact. energy: -0.022
local terms energy: -41.732329
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -7.963
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -74.029629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.029629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.029629 (E_RNA)
where:
Base-Base interactions energy: -28.127
where: short stacking energy: -28.127
Base-Backbone interact. energy: -0.265
local terms energy: -45.638239
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -212.774287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.774287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.774287 (E_RNA)
where:
Base-Base interactions energy: -140.215
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.035
local terms energy: -72.524395
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -205.405339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.405339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.405339 (E_RNA)
where:
Base-Base interactions energy: -132.679
where: short stacking energy: -60.261
Base-Backbone interact. energy: -0.649
local terms energy: -72.076864
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -182.337634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.337634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.337634 (E_RNA)
where:
Base-Base interactions energy: -113.534
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.111
local terms energy: -68.692105
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -10.366
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: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -174.938140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.938140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.938140 (E_RNA)
where:
Base-Base interactions energy: -99.980
where: short stacking energy: -56.422
Base-Backbone interact. energy: -0.685
local terms energy: -74.272832
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -158.751669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.751669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.751669 (E_RNA)
where:
Base-Base interactions energy: -93.755
where: short stacking energy: -45.991
Base-Backbone interact. energy: -0.509
local terms energy: -64.487497
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -133.911291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.911291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.911291 (E_RNA)
where:
Base-Base interactions energy: -72.773
where: short stacking energy: -44.737
Base-Backbone interact. energy: -0.009
local terms energy: -61.129512
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -146.140899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.140899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.140899 (E_RNA)
where:
Base-Base interactions energy: -83.953
where: short stacking energy: -54.226
Base-Backbone interact. energy: -0.001
local terms energy: -62.186888
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -80.575592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.575592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.575592 (E_RNA)
where:
Base-Base interactions energy: -29.951
where: short stacking energy: -28.051
Base-Backbone interact. energy: 0.426
local terms energy: -51.050351
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -83.666728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.666728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.666728 (E_RNA)
where:
Base-Base interactions energy: -36.865
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.149
local terms energy: -46.653394
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -0.985
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: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -81.485763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.485763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.485763 (E_RNA)
where:
Base-Base interactions energy: -30.260
where: short stacking energy: -29.453
Base-Backbone interact. energy: -0.109
local terms energy: -51.116476
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -4.404
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: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -217.847244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.847244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.847244 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -71.664
Base-Backbone interact. energy: -0.417
local terms energy: -77.928973
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -208.939357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.939357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.939357 (E_RNA)
where:
Base-Base interactions energy: -140.207
where: short stacking energy: -62.910
Base-Backbone interact. energy: -0.106
local terms energy: -68.627055
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.348
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: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -183.880653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.880653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.880653 (E_RNA)
where:
Base-Base interactions energy: -112.233
where: short stacking energy: -61.748
Base-Backbone interact. energy: -0.476
local terms energy: -71.172256
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -171.951121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.951121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.951121 (E_RNA)
where:
Base-Base interactions energy: -102.370
where: short stacking energy: -53.858
Base-Backbone interact. energy: -0.285
local terms energy: -69.295890
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -163.829911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.829911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.829911 (E_RNA)
where:
Base-Base interactions energy: -98.174
where: short stacking energy: -49.205
Base-Backbone interact. energy: -0.387
local terms energy: -65.268916
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -146.112363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.112363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.112363 (E_RNA)
where:
Base-Base interactions energy: -87.624
where: short stacking energy: -37.986
Base-Backbone interact. energy: -1.561
local terms energy: -56.927387
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -5.474
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: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -127.650063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.650063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.650063 (E_RNA)
where:
Base-Base interactions energy: -72.940
where: short stacking energy: -47.014
Base-Backbone interact. energy: -0.017
local terms energy: -54.693047
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -91.835640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835640 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -26.307
Base-Backbone interact. energy: -0.143
local terms energy: -49.847608
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -85.835915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.835915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.835915 (E_RNA)
where:
Base-Base interactions energy: -38.732
where: short stacking energy: -23.669
Base-Backbone interact. energy: 1.507
local terms energy: -48.610640
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: 0.007
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: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -77.672786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.672786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.672786 (E_RNA)
where:
Base-Base interactions energy: -25.164
where: short stacking energy: -24.134
Base-Backbone interact. energy: -0.791
local terms energy: -51.717501
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -217.453042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.453042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.453042 (E_RNA)
where:
Base-Base interactions energy: -139.033
where: short stacking energy: -74.420
Base-Backbone interact. energy: -1.166
local terms energy: -77.253216
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -21.239
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: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -206.024743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.024743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.024743 (E_RNA)
where:
Base-Base interactions energy: -126.669
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.011
local terms energy: -79.344095
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -192.045651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.045651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.045651 (E_RNA)
where:
Base-Base interactions energy: -122.263
where: short stacking energy: -65.931
Base-Backbone interact. energy: -1.081
local terms energy: -68.701417
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -8.608
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: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -172.493382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.493382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.493382 (E_RNA)
where:
Base-Base interactions energy: -100.059
where: short stacking energy: -61.918
Base-Backbone interact. energy: -0.014
local terms energy: -72.420601
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -12.111
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: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -173.914198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.914198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.914198 (E_RNA)
where:
Base-Base interactions energy: -108.707
where: short stacking energy: -55.677
Base-Backbone interact. energy: 0.055
local terms energy: -65.262164
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -11.033
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: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -165.144095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.144095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.144095 (E_RNA)
where:
Base-Base interactions energy: -111.151
where: short stacking energy: -46.590
Base-Backbone interact. energy: -0.302
local terms energy: -53.691619
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -7.456
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -100.380026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.380026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.380026 (E_RNA)
where:
Base-Base interactions energy: -44.368
where: short stacking energy: -34.421
Base-Backbone interact. energy: -0.206
local terms energy: -55.805272
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -116.323725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.323725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.323725 (E_RNA)
where:
Base-Base interactions energy: -67.257
where: short stacking energy: -32.999
Base-Backbone interact. energy: -0.309
local terms energy: -48.757149
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -76.509232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.509232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.509232 (E_RNA)
where:
Base-Base interactions energy: -31.994
where: short stacking energy: -31.768
Base-Backbone interact. energy: 3.440
local terms energy: -47.954802
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -4.255
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -94.192276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.192276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.192276 (E_RNA)
where:
Base-Base interactions energy: -43.773
where: short stacking energy: -21.442
Base-Backbone interact. energy: -0.206
local terms energy: -50.213458
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -9.095
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: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -215.583563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.583563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.583563 (E_RNA)
where:
Base-Base interactions energy: -135.705
where: short stacking energy: -70.937
Base-Backbone interact. energy: -0.453
local terms energy: -79.426195
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -198.929594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.929594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.929594 (E_RNA)
where:
Base-Base interactions energy: -119.803
where: short stacking energy: -57.119
Base-Backbone interact. energy: -0.052
local terms energy: -79.074052
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -186.242883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.242883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.242883 (E_RNA)
where:
Base-Base interactions energy: -116.499
where: short stacking energy: -70.757
Base-Backbone interact. energy: -2.369
local terms energy: -67.374303
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -19.663
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: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -159.437880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.437880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.437880 (E_RNA)
where:
Base-Base interactions energy: -92.303
where: short stacking energy: -49.565
Base-Backbone interact. energy: -0.127
local terms energy: -67.008118
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -12.774
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: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -161.783807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.783807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.783807 (E_RNA)
where:
Base-Base interactions energy: -101.406
where: short stacking energy: -53.858
Base-Backbone interact. energy: -0.201
local terms energy: -60.176426
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -11.024
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: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -158.472841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.472841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.472841 (E_RNA)
where:
Base-Base interactions energy: -88.982
where: short stacking energy: -44.170
Base-Backbone interact. energy: -0.270
local terms energy: -69.221496
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -99.830756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.830756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.830756 (E_RNA)
where:
Base-Base interactions energy: -56.628
where: short stacking energy: -28.635
Base-Backbone interact. energy: -0.492
local terms energy: -42.710304
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -8.561
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -3.067
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: 175
Temperature: 1.250000
Total energy: -112.050266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.050266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.050266 (E_RNA)
where:
Base-Base interactions energy: -54.260
where: short stacking energy: -31.105
Base-Backbone interact. energy: -1.126
local terms energy: -56.665004
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -89.244831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.244831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.244831 (E_RNA)
where:
Base-Base interactions energy: -38.939
where: short stacking energy: -35.681
Base-Backbone interact. energy: -0.146
local terms energy: -50.160549
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -8.811
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -89.597652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.597652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.597652 (E_RNA)
where:
Base-Base interactions energy: -38.504
where: short stacking energy: -28.304
Base-Backbone interact. energy: 0.545
local terms energy: -51.638861
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -207.261460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.261460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.261460 (E_RNA)
where:
Base-Base interactions energy: -133.289
where: short stacking energy: -57.273
Base-Backbone interact. energy: -0.089
local terms energy: -73.883301
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -206.567236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.567236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.567236 (E_RNA)
where:
Base-Base interactions energy: -137.019
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.223
local terms energy: -69.325709
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -19.748
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: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -188.857135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.857135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.857135 (E_RNA)
where:
Base-Base interactions energy: -121.928
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.009
local terms energy: -66.920594
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -163.820317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.820317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.820317 (E_RNA)
where:
Base-Base interactions energy: -95.075
where: short stacking energy: -47.880
Base-Backbone interact. energy: -0.157
local terms energy: -68.587766
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -13.435
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: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -169.635829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.635829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.635829 (E_RNA)
where:
Base-Base interactions energy: -99.538
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.038
local terms energy: -70.059391
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -146.287852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.287852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.287852 (E_RNA)
where:
Base-Base interactions energy: -81.709
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.491
local terms energy: -64.088125
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -12.261
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: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -91.095819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.095819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.095819 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -36.782
Base-Backbone interact. energy: -0.088
local terms energy: -54.226595
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -90.900318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900318 (E_RNA)
where:
Base-Base interactions energy: -48.329
where: short stacking energy: -19.820
Base-Backbone interact. energy: -0.449
local terms energy: -42.121510
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: 5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -86.445025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.445025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.445025 (E_RNA)
where:
Base-Base interactions energy: -35.022
where: short stacking energy: -29.600
Base-Backbone interact. energy: -0.098
local terms energy: -51.324858
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: 1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -81.175258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.175258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.175258 (E_RNA)
where:
Base-Base interactions energy: -23.521
where: short stacking energy: -23.521
Base-Backbone interact. energy: -0.079
local terms energy: -57.575137
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -6.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -205.906632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.906632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.906632 (E_RNA)
where:
Base-Base interactions energy: -127.744
where: short stacking energy: -60.090
Base-Backbone interact. energy: -0.020
local terms energy: -78.141795
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -15.265
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: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -204.760755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.760755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.760755 (E_RNA)
where:
Base-Base interactions energy: -139.416
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.016
local terms energy: -65.329159
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -189.042793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.042793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.042793 (E_RNA)
where:
Base-Base interactions energy: -122.275
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.423
local terms energy: -66.344967
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -158.115663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.115663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.115663 (E_RNA)
where:
Base-Base interactions energy: -87.052
where: short stacking energy: -49.107
Base-Backbone interact. energy: -1.186
local terms energy: -69.877987
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -164.067632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.067632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.067632 (E_RNA)
where:
Base-Base interactions energy: -100.704
where: short stacking energy: -57.069
Base-Backbone interact. energy: -0.165
local terms energy: -63.199095
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -147.372730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.372730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.372730 (E_RNA)
where:
Base-Base interactions energy: -81.581
where: short stacking energy: -47.942
Base-Backbone interact. energy: -0.867
local terms energy: -64.925145
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -87.231744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.231744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.231744 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -34.570
Base-Backbone interact. energy: 0.152
local terms energy: -51.770150
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -5.419
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: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -98.926247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.926247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.926247 (E_RNA)
where:
Base-Base interactions energy: -47.206
where: short stacking energy: -37.797
Base-Backbone interact. energy: -0.039
local terms energy: -51.681111
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -77.994579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.994579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.994579 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -22.551
Base-Backbone interact. energy: -0.180
local terms energy: -45.416408
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: 2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -80.674780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.674780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.674780 (E_RNA)
where:
Base-Base interactions energy: -36.885
where: short stacking energy: -36.885
Base-Backbone interact. energy: -0.301
local terms energy: -43.489550
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -6.069
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -8.676
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: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -208.087808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.087808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087808 (E_RNA)
where:
Base-Base interactions energy: -136.362
where: short stacking energy: -56.768
Base-Backbone interact. energy: -0.069
local terms energy: -71.656317
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -211.196057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.196057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.196057 (E_RNA)
where:
Base-Base interactions energy: -133.814
where: short stacking energy: -68.945
Base-Backbone interact. energy: -0.644
local terms energy: -76.738435
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -179.207669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.207669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.207669 (E_RNA)
where:
Base-Base interactions energy: -110.880
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.113
local terms energy: -68.214255
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -9.043
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: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -172.940763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.940763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.940763 (E_RNA)
where:
Base-Base interactions energy: -104.341
where: short stacking energy: -56.447
Base-Backbone interact. energy: -0.038
local terms energy: -68.561747
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -13.313
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: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -176.655033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.655033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.655033 (E_RNA)
where:
Base-Base interactions energy: -105.027
where: short stacking energy: -59.901
Base-Backbone interact. energy: -0.011
local terms energy: -71.616337
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -104.397709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.397709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.397709 (E_RNA)
where:
Base-Base interactions energy: -51.082
where: short stacking energy: -20.308
Base-Backbone interact. energy: -0.244
local terms energy: -53.072408
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -9.711
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: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -105.725792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.725792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.725792 (E_RNA)
where:
Base-Base interactions energy: -44.591
where: short stacking energy: -44.420
Base-Backbone interact. energy: -0.101
local terms energy: -61.034724
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -86.239271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.239271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.239271 (E_RNA)
where:
Base-Base interactions energy: -27.878
where: short stacking energy: -27.878
Base-Backbone interact. energy: -0.244
local terms energy: -58.117138
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -4.901
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: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -83.302247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.302247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.302247 (E_RNA)
where:
Base-Base interactions energy: -25.263
where: short stacking energy: -25.263
Base-Backbone interact. energy: -0.054
local terms energy: -57.985182
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -79.394805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.394805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.394805 (E_RNA)
where:
Base-Base interactions energy: -19.908
where: short stacking energy: -18.423
Base-Backbone interact. energy: -0.111
local terms energy: -59.376361
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -197.256653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.256653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.256653 (E_RNA)
where:
Base-Base interactions energy: -121.815
where: short stacking energy: -60.230
Base-Backbone interact. energy: -0.001
local terms energy: -75.441281
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -208.023600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.023600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.023600 (E_RNA)
where:
Base-Base interactions energy: -135.438
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.248
local terms energy: -72.337285
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -21.161
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: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -169.483919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.483919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.483919 (E_RNA)
where:
Base-Base interactions energy: -104.082
where: short stacking energy: -45.490
Base-Backbone interact. energy: -0.569
local terms energy: -64.832205
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -187.869290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.869290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.869290 (E_RNA)
where:
Base-Base interactions energy: -116.074
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.878
local terms energy: -70.916765
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -157.300852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.300852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.300852 (E_RNA)
where:
Base-Base interactions energy: -95.620
where: short stacking energy: -45.106
Base-Backbone interact. energy: -0.158
local terms energy: -61.522733
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -99.977389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.977389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.977389 (E_RNA)
where:
Base-Base interactions energy: -39.804
where: short stacking energy: -39.115
Base-Backbone interact. energy: -0.117
local terms energy: -60.055741
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -9.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -89.236863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.236863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.236863 (E_RNA)
where:
Base-Base interactions energy: -31.156
where: short stacking energy: -31.156
Base-Backbone interact. energy: -0.021
local terms energy: -58.060224
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -86.830104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.830104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.830104 (E_RNA)
where:
Base-Base interactions energy: -33.085
where: short stacking energy: -33.024
Base-Backbone interact. energy: -0.006
local terms energy: -53.739708
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -10.124
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -78.516226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.516226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.516226 (E_RNA)
where:
Base-Base interactions energy: -34.422
where: short stacking energy: -21.271
Base-Backbone interact. energy: 0.583
local terms energy: -44.676523
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: 2.561
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: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -80.041238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.041238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.041238 (E_RNA)
where:
Base-Base interactions energy: -33.318
where: short stacking energy: -19.365
Base-Backbone interact. energy: -0.252
local terms energy: -46.470486
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -206.625904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.625904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.625904 (E_RNA)
where:
Base-Base interactions energy: -139.624
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.244
local terms energy: -66.758392
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -9.486
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: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -209.208965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.208965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.208965 (E_RNA)
where:
Base-Base interactions energy: -134.048
where: short stacking energy: -77.427
Base-Backbone interact. energy: -0.013
local terms energy: -75.148240
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -189.823113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.823113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.823113 (E_RNA)
where:
Base-Base interactions energy: -123.619
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.055
local terms energy: -66.148726
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -162.973725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.973725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.973725 (E_RNA)
where:
Base-Base interactions energy: -99.218
where: short stacking energy: -45.797
Base-Backbone interact. energy: -0.021
local terms energy: -63.734246
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -7.210
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: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -120.066052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.066052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.066052 (E_RNA)
where:
Base-Base interactions energy: -56.919
where: short stacking energy: -41.114
Base-Backbone interact. energy: -0.117
local terms energy: -63.029251
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -155.799775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.799775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.799775 (E_RNA)
where:
Base-Base interactions energy: -99.090
where: short stacking energy: -60.320
Base-Backbone interact. energy: -0.013
local terms energy: -56.696871
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -89.089981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.089981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.089981 (E_RNA)
where:
Base-Base interactions energy: -39.722
where: short stacking energy: -39.722
Base-Backbone interact. energy: -0.126
local terms energy: -49.241838
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -79.883509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.883509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.883509 (E_RNA)
where:
Base-Base interactions energy: -30.063
where: short stacking energy: -30.063
Base-Backbone interact. energy: -0.091
local terms energy: -49.729923
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -2.373
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: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -86.344006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.344006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.344006 (E_RNA)
where:
Base-Base interactions energy: -36.811
where: short stacking energy: -27.891
Base-Backbone interact. energy: 1.223
local terms energy: -50.756394
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -74.430843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.430843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.430843 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -21.994
Base-Backbone interact. energy: -1.490
local terms energy: -40.025519
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -7.254
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: 1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -213.873838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.873838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.873838 (E_RNA)
where:
Base-Base interactions energy: -139.027
where: short stacking energy: -62.269
Base-Backbone interact. energy: -0.220
local terms energy: -74.625961
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -205.911440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.911440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.911440 (E_RNA)
where:
Base-Base interactions energy: -132.280
where: short stacking energy: -69.715
Base-Backbone interact. energy: -0.001
local terms energy: -73.630412
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -195.958556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.958556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.958556 (E_RNA)
where:
Base-Base interactions energy: -125.023
where: short stacking energy: -59.653
Base-Backbone interact. energy: -1.129
local terms energy: -69.806736
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -169.737653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.737653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.737653 (E_RNA)
where:
Base-Base interactions energy: -102.423
where: short stacking energy: -45.889
Base-Backbone interact. energy: -0.010
local terms energy: -67.305267
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -12.671
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: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -114.785407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.785407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.785407 (E_RNA)
where:
Base-Base interactions energy: -58.038
where: short stacking energy: -36.818
Base-Backbone interact. energy: -0.068
local terms energy: -56.680010
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -90.910990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.910990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.910990 (E_RNA)
where:
Base-Base interactions energy: -39.706
where: short stacking energy: -39.706
Base-Backbone interact. energy: 0.457
local terms energy: -51.661119
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -148.184371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.184371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.184371 (E_RNA)
where:
Base-Base interactions energy: -83.734
where: short stacking energy: -35.385
Base-Backbone interact. energy: -0.292
local terms energy: -64.158010
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -92.187155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.187155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.187155 (E_RNA)
where:
Base-Base interactions energy: -41.798
where: short stacking energy: -40.081
Base-Backbone interact. energy: -0.039
local terms energy: -50.349520
where:
bonds (distance) C4'-P energy: -4.606
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -80.319033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.319033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.319033 (E_RNA)
where:
Base-Base interactions energy: -28.810
where: short stacking energy: -28.810
Base-Backbone interact. energy: -0.124
local terms energy: -51.384850
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -81.355573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.355573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.355573 (E_RNA)
where:
Base-Base interactions energy: -24.393
where: short stacking energy: -21.264
Base-Backbone interact. energy: -0.205
local terms energy: -56.758177
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -192.104891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.104891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104891 (E_RNA)
where:
Base-Base interactions energy: -111.560
where: short stacking energy: -64.038
Base-Backbone interact. energy: -0.009
local terms energy: -80.535113
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -203.293984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.293984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.293984 (E_RNA)
where:
Base-Base interactions energy: -138.243
where: short stacking energy: -61.310
Base-Backbone interact. energy: -0.043
local terms energy: -65.008164
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -202.018291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.018291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.018291 (E_RNA)
where:
Base-Base interactions energy: -126.594
where: short stacking energy: -66.453
Base-Backbone interact. energy: -0.123
local terms energy: -75.301739
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -19.268
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: 182
Temperature: 1.050000
Total energy: -189.111828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.111828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.111828 (E_RNA)
where:
Base-Base interactions energy: -115.045
where: short stacking energy: -60.275
Base-Backbone interact. energy: -0.152
local terms energy: -73.915297
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -126.551517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.551517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.551517 (E_RNA)
where:
Base-Base interactions energy: -68.676
where: short stacking energy: -46.078
Base-Backbone interact. energy: -0.028
local terms energy: -57.847304
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -7.964
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: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -94.030083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.030083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.030083 (E_RNA)
where:
Base-Base interactions energy: -32.298
where: short stacking energy: -32.298
Base-Backbone interact. energy: -0.885
local terms energy: -60.847581
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -147.722088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.722088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.722088 (E_RNA)
where:
Base-Base interactions energy: -89.027
where: short stacking energy: -45.569
Base-Backbone interact. energy: -0.086
local terms energy: -58.608302
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -102.662086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.662086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.662086 (E_RNA)
where:
Base-Base interactions energy: -49.840
where: short stacking energy: -36.266
Base-Backbone interact. energy: -0.056
local terms energy: -52.766104
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -90.327500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.327500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.327500 (E_RNA)
where:
Base-Base interactions energy: -35.646
where: short stacking energy: -19.414
Base-Backbone interact. energy: -0.006
local terms energy: -54.675345
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -2.114
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: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -90.291680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.291680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.291680 (E_RNA)
where:
Base-Base interactions energy: -37.667
where: short stacking energy: -37.667
Base-Backbone interact. energy: -0.068
local terms energy: -52.557390
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -195.856518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.856518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.856518 (E_RNA)
where:
Base-Base interactions energy: -124.732
where: short stacking energy: -65.307
Base-Backbone interact. energy: 0.806
local terms energy: -71.930611
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -205.050723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.050723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.050723 (E_RNA)
where:
Base-Base interactions energy: -133.422
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.133
local terms energy: -71.495671
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -14.514
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: 183
Temperature: 1.000000
Total energy: -209.641013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.641013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.641013 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -60.702
Base-Backbone interact. energy: -0.003
local terms energy: -73.964147
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -18.501
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: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -174.550432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.550432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.550432 (E_RNA)
where:
Base-Base interactions energy: -110.337
where: short stacking energy: -52.341
Base-Backbone interact. energy: -0.547
local terms energy: -63.666460
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -14.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -124.017180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.017180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.017180 (E_RNA)
where:
Base-Base interactions energy: -56.298
where: short stacking energy: -42.111
Base-Backbone interact. energy: -0.195
local terms energy: -67.523726
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -135.823304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.823304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.823304 (E_RNA)
where:
Base-Base interactions energy: -76.250
where: short stacking energy: -40.237
Base-Backbone interact. energy: -1.488
local terms energy: -58.085391
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -3.548
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -84.656986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.656986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.656986 (E_RNA)
where:
Base-Base interactions energy: -34.200
where: short stacking energy: -32.991
Base-Backbone interact. energy: -0.008
local terms energy: -50.449525
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -88.421218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.421218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.421218 (E_RNA)
where:
Base-Base interactions energy: -39.633
where: short stacking energy: -34.164
Base-Backbone interact. energy: -0.113
local terms energy: -48.675800
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -5.910
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: 3
=====================================
Write number: 183
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: -38.006
where: short stacking energy: -33.543
Base-Backbone interact. energy: -1.885
local terms energy: -47.763666
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -88.032212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.032212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.032212 (E_RNA)
where:
Base-Base interactions energy: -32.370
where: short stacking energy: -31.836
Base-Backbone interact. energy: 0.004
local terms energy: -55.666426
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -8.952
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: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -208.212207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.212207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.212207 (E_RNA)
where:
Base-Base interactions energy: -143.563
where: short stacking energy: -61.257
Base-Backbone interact. energy: -0.098
local terms energy: -64.550818
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -203.474866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.474866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.474866 (E_RNA)
where:
Base-Base interactions energy: -120.443
where: short stacking energy: -70.585
Base-Backbone interact. energy: -2.539
local terms energy: -80.493655
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -209.062307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.062307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.062307 (E_RNA)
where:
Base-Base interactions energy: -133.190
where: short stacking energy: -70.410
Base-Backbone interact. energy: -0.281
local terms energy: -75.591522
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -19.817
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: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -151.041435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.041435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.041435 (E_RNA)
where:
Base-Base interactions energy: -93.921
where: short stacking energy: -44.592
Base-Backbone interact. energy: -0.094
local terms energy: -57.025944
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -10.264
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: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -136.699181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.699181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.699181 (E_RNA)
where:
Base-Base interactions energy: -75.193
where: short stacking energy: -47.120
Base-Backbone interact. energy: -0.134
local terms energy: -61.371844
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -16.196
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: 184
Temperature: 1.150000
Total energy: -104.711387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.711387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.711387 (E_RNA)
where:
Base-Base interactions energy: -53.449
where: short stacking energy: -49.106
Base-Backbone interact. energy: 0.250
local terms energy: -51.512334
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -11.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -96.913925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.913925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.913925 (E_RNA)
where:
Base-Base interactions energy: -42.399
where: short stacking energy: -42.399
Base-Backbone interact. energy: 0.060
local terms energy: -54.574397
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -10.042
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: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -90.281422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.281422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.281422 (E_RNA)
where:
Base-Base interactions energy: -29.543
where: short stacking energy: -21.707
Base-Backbone interact. energy: -1.031
local terms energy: -59.707325
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -77.291131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.291131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.291131 (E_RNA)
where:
Base-Base interactions energy: -40.038
where: short stacking energy: -17.529
Base-Backbone interact. energy: 0.250
local terms energy: -37.503718
where:
bonds (distance) C4'-P energy: -6.705
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: 2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -89.332356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.332356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.332356 (E_RNA)
where:
Base-Base interactions energy: -30.978
where: short stacking energy: -29.361
Base-Backbone interact. energy: -0.945
local terms energy: -57.409221
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -212.158175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.158175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.158175 (E_RNA)
where:
Base-Base interactions energy: -146.208
where: short stacking energy: -66.862
Base-Backbone interact. energy: 1.198
local terms energy: -67.147589
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -209.040345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.040345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.040345 (E_RNA)
where:
Base-Base interactions energy: -137.794
where: short stacking energy: -51.882
Base-Backbone interact. energy: -0.165
local terms energy: -71.081342
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -10.522
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: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -194.466190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.466190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.466190 (E_RNA)
where:
Base-Base interactions energy: -121.077
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.010
local terms energy: -73.378969
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -179.211310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.211310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.211310 (E_RNA)
where:
Base-Base interactions energy: -110.636
where: short stacking energy: -68.731
Base-Backbone interact. energy: -0.023
local terms energy: -68.552330
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.207
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: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -162.999308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.999308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.999308 (E_RNA)
where:
Base-Base interactions energy: -103.470
where: short stacking energy: -47.422
Base-Backbone interact. energy: -0.755
local terms energy: -58.773810
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -10.062
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: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -99.149202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.149202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.149202 (E_RNA)
where:
Base-Base interactions energy: -43.586
where: short stacking energy: -42.147
Base-Backbone interact. energy: -0.091
local terms energy: -55.472296
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -10.697
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: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -102.375630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.375630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.375630 (E_RNA)
where:
Base-Base interactions energy: -51.818
where: short stacking energy: -31.436
Base-Backbone interact. energy: -0.974
local terms energy: -49.583700
where:
bonds (distance) C4'-P energy: -7.865
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -95.882712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.882712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.882712 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -33.431
Base-Backbone interact. energy: -1.334
local terms energy: -55.652364
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -8.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -71.884305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.884305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.884305 (E_RNA)
where:
Base-Base interactions energy: -26.638
where: short stacking energy: -17.965
Base-Backbone interact. energy: -0.316
local terms energy: -44.930178
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.796
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: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -81.157856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.157856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.157856 (E_RNA)
where:
Base-Base interactions energy: -36.447
where: short stacking energy: -20.460
Base-Backbone interact. energy: -0.469
local terms energy: -44.242362
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: 2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -215.038504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.038504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.038504 (E_RNA)
where:
Base-Base interactions energy: -145.270
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.004
local terms energy: -69.764402
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -11.581
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: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -200.859711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.859711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.859711 (E_RNA)
where:
Base-Base interactions energy: -130.981
where: short stacking energy: -63.525
Base-Backbone interact. energy: 0.265
local terms energy: -70.143762
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -189.254191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.254191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.254191 (E_RNA)
where:
Base-Base interactions energy: -116.591
where: short stacking energy: -62.374
Base-Backbone interact. energy: -0.324
local terms energy: -72.339152
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -181.239196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.239196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.239196 (E_RNA)
where:
Base-Base interactions energy: -112.225
where: short stacking energy: -64.483
Base-Backbone interact. energy: -1.316
local terms energy: -67.697811
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -167.113661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.113661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.113661 (E_RNA)
where:
Base-Base interactions energy: -108.838
where: short stacking energy: -53.223
Base-Backbone interact. energy: -0.149
local terms energy: -58.127276
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -104.564644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.564644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.564644 (E_RNA)
where:
Base-Base interactions energy: -46.664
where: short stacking energy: -46.664
Base-Backbone interact. energy: -0.145
local terms energy: -57.755578
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -11.526
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: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -91.938131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.938131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.938131 (E_RNA)
where:
Base-Base interactions energy: -33.917
where: short stacking energy: -24.790
Base-Backbone interact. energy: 0.105
local terms energy: -58.126388
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: 1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -80.589471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.589471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.589471 (E_RNA)
where:
Base-Base interactions energy: -31.986
where: short stacking energy: -26.884
Base-Backbone interact. energy: -0.229
local terms energy: -48.374408
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -87.891321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.891321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.891321 (E_RNA)
where:
Base-Base interactions energy: -37.950
where: short stacking energy: -34.949
Base-Backbone interact. energy: -0.141
local terms energy: -49.800510
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -75.836595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.836595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.836595 (E_RNA)
where:
Base-Base interactions energy: -24.960
where: short stacking energy: -23.694
Base-Backbone interact. energy: -0.264
local terms energy: -50.612657
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -213.493443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.493443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.493443 (E_RNA)
where:
Base-Base interactions energy: -146.339
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.066
local terms energy: -67.087625
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -184.349811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.349811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.349811 (E_RNA)
where:
Base-Base interactions energy: -113.326
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.007
local terms energy: -71.017002
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -18.999
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: 187
Temperature: 1.000000
Total energy: -180.592725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.592725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.592725 (E_RNA)
where:
Base-Base interactions energy: -109.329
where: short stacking energy: -57.656
Base-Backbone interact. energy: -0.367
local terms energy: -70.896411
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -192.343152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.343152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.343152 (E_RNA)
where:
Base-Base interactions energy: -116.614
where: short stacking energy: -70.920
Base-Backbone interact. energy: -0.153
local terms energy: -75.576018
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -185.355593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.355593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.355593 (E_RNA)
where:
Base-Base interactions energy: -119.436
where: short stacking energy: -63.484
Base-Backbone interact. energy: 0.495
local terms energy: -66.414663
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -11.138
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: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -115.033059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.033059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.033059 (E_RNA)
where:
Base-Base interactions energy: -55.978
where: short stacking energy: -43.898
Base-Backbone interact. energy: -0.884
local terms energy: -58.170982
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -78.378915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.378915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.378915 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -31.121
Base-Backbone interact. energy: -0.210
local terms energy: -47.048118
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: -3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -94.710905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.710905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.710905 (E_RNA)
where:
Base-Base interactions energy: -36.769
where: short stacking energy: -36.769
Base-Backbone interact. energy: -0.033
local terms energy: -57.909152
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.166
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: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -92.296979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.296979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.296979 (E_RNA)
where:
Base-Base interactions energy: -38.299
where: short stacking energy: -30.254
Base-Backbone interact. energy: -0.072
local terms energy: -53.925797
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -68.668789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.668789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.668789 (E_RNA)
where:
Base-Base interactions energy: -20.688
where: short stacking energy: -17.310
Base-Backbone interact. energy: -0.289
local terms energy: -47.691535
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: 3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -220.257103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.257103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.257103 (E_RNA)
where:
Base-Base interactions energy: -142.205
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.000
local terms energy: -78.052022
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -177.178119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.178119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.178119 (E_RNA)
where:
Base-Base interactions energy: -106.924
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.122
local terms energy: -70.131910
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -176.510631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.510631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.510631 (E_RNA)
where:
Base-Base interactions energy: -108.524
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.044
local terms energy: -67.942468
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.985
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: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -193.132376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.132376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.132376 (E_RNA)
where:
Base-Base interactions energy: -124.028
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.120
local terms energy: -68.984308
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.440
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: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -127.030120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.030120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.030120 (E_RNA)
where:
Base-Base interactions energy: -76.192
where: short stacking energy: -39.179
Base-Backbone interact. energy: -0.332
local terms energy: -50.505880
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -111.957213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.957213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.957213 (E_RNA)
where:
Base-Base interactions energy: -54.199
where: short stacking energy: -44.336
Base-Backbone interact. energy: -0.073
local terms energy: -57.684586
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -87.135105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.135105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.135105 (E_RNA)
where:
Base-Base interactions energy: -43.230
where: short stacking energy: -39.841
Base-Backbone interact. energy: 0.915
local terms energy: -44.820043
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -6.611
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: 8, replica: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -88.800319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.800319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.800319 (E_RNA)
where:
Base-Base interactions energy: -34.774
where: short stacking energy: -34.268
Base-Backbone interact. energy: -0.104
local terms energy: -53.922698
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -79.765767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.765767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.765767 (E_RNA)
where:
Base-Base interactions energy: -26.566
where: short stacking energy: -24.851
Base-Backbone interact. energy: -0.195
local terms energy: -53.005543
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -89.323972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.323972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.323972 (E_RNA)
where:
Base-Base interactions energy: -42.426
where: short stacking energy: -20.194
Base-Backbone interact. energy: 1.496
local terms energy: -48.394038
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: 1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -215.203373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.203373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.203373 (E_RNA)
where:
Base-Base interactions energy: -137.287
where: short stacking energy: -70.043
Base-Backbone interact. energy: -0.000
local terms energy: -77.916003
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -177.183293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.183293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.183293 (E_RNA)
where:
Base-Base interactions energy: -114.223
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.551
local terms energy: -62.409101
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -180.958022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.958022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.958022 (E_RNA)
where:
Base-Base interactions energy: -115.370
where: short stacking energy: -58.020
Base-Backbone interact. energy: -0.171
local terms energy: -65.417033
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -159.768306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.768306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.768306 (E_RNA)
where:
Base-Base interactions energy: -87.745
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.098
local terms energy: -71.925369
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -176.233307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.233307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.233307 (E_RNA)
where:
Base-Base interactions energy: -111.834
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.003
local terms energy: -64.396706
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -9.251
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -96.712260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.712260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.712260 (E_RNA)
where:
Base-Base interactions energy: -47.681
where: short stacking energy: -41.370
Base-Backbone interact. energy: -0.043
local terms energy: -48.987335
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -1.139
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -88.806878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.806878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.806878 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -37.012
Base-Backbone interact. energy: -0.055
local terms energy: -51.740490
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -8.258
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: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -86.653755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.653755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.653755 (E_RNA)
where:
Base-Base interactions energy: -43.482
where: short stacking energy: -33.957
Base-Backbone interact. energy: -0.046
local terms energy: -43.125772
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -6.819
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -81.004780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.004780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.004780 (E_RNA)
where:
Base-Base interactions energy: -28.659
where: short stacking energy: -28.659
Base-Backbone interact. energy: 2.225
local terms energy: -54.571106
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.849
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: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -93.750048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.750048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.750048 (E_RNA)
where:
Base-Base interactions energy: -50.131
where: short stacking energy: -40.045
Base-Backbone interact. energy: -0.069
local terms energy: -43.550752
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -212.838786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.838786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.838786 (E_RNA)
where:
Base-Base interactions energy: -136.686
where: short stacking energy: -71.887
Base-Backbone interact. energy: -0.011
local terms energy: -76.141155
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -185.200016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.200016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.200016 (E_RNA)
where:
Base-Base interactions energy: -113.067
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.784
local terms energy: -71.349015
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -8.450
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: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -182.369553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.369553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.369553 (E_RNA)
where:
Base-Base interactions energy: -116.794
where: short stacking energy: -50.880
Base-Backbone interact. energy: -0.177
local terms energy: -65.398376
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -10.951
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: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -156.783597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.783597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.783597 (E_RNA)
where:
Base-Base interactions energy: -97.383
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.025
local terms energy: -59.376309
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -171.165498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.165498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.165498 (E_RNA)
where:
Base-Base interactions energy: -111.889
where: short stacking energy: -54.252
Base-Backbone interact. energy: -0.779
local terms energy: -58.497090
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -99.846410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.846410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.846410 (E_RNA)
where:
Base-Base interactions energy: -39.414
where: short stacking energy: -38.782
Base-Backbone interact. energy: -0.109
local terms energy: -60.322892
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -7.356
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: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -94.545192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.545192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.545192 (E_RNA)
where:
Base-Base interactions energy: -49.212
where: short stacking energy: -32.529
Base-Backbone interact. energy: -0.143
local terms energy: -45.189408
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -91.425764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.425764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.425764 (E_RNA)
where:
Base-Base interactions energy: -33.410
where: short stacking energy: -32.335
Base-Backbone interact. energy: -0.165
local terms energy: -57.850765
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -78.979490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.979490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.979490 (E_RNA)
where:
Base-Base interactions energy: -35.026
where: short stacking energy: -32.778
Base-Backbone interact. energy: -0.603
local terms energy: -43.350041
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -87.692487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.692487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.692487 (E_RNA)
where:
Base-Base interactions energy: -24.395
where: short stacking energy: -22.478
Base-Backbone interact. energy: -0.081
local terms energy: -63.216750
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -211.741755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.741755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.741755 (E_RNA)
where:
Base-Base interactions energy: -130.237
where: short stacking energy: -70.736
Base-Backbone interact. energy: 0.857
local terms energy: -82.362448
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -179.583104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.583104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.583104 (E_RNA)
where:
Base-Base interactions energy: -110.575
where: short stacking energy: -62.352
Base-Backbone interact. energy: -0.119
local terms energy: -68.889426
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -165.023202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.023202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.023202 (E_RNA)
where:
Base-Base interactions energy: -98.062
where: short stacking energy: -46.708
Base-Backbone interact. energy: -0.006
local terms energy: -66.955259
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -165.964483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.964483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.964483 (E_RNA)
where:
Base-Base interactions energy: -102.288
where: short stacking energy: -56.304
Base-Backbone interact. energy: -0.130
local terms energy: -63.546602
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -137.582775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.582775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.582775 (E_RNA)
where:
Base-Base interactions energy: -82.462
where: short stacking energy: -39.683
Base-Backbone interact. energy: -0.150
local terms energy: -54.970376
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -108.493940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.493940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.493940 (E_RNA)
where:
Base-Base interactions energy: -45.385
where: short stacking energy: -44.415
Base-Backbone interact. energy: -0.100
local terms energy: -63.009075
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -99.716851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.716851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.716851 (E_RNA)
where:
Base-Base interactions energy: -41.381
where: short stacking energy: -36.360
Base-Backbone interact. energy: 0.307
local terms energy: -58.642876
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -100.767346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.767346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.767346 (E_RNA)
where:
Base-Base interactions energy: -57.878
where: short stacking energy: -39.260
Base-Backbone interact. energy: 0.749
local terms energy: -43.638425
where:
bonds (distance) C4'-P energy: -6.407
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -88.408195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.408195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.408195 (E_RNA)
where:
Base-Base interactions energy: -44.457
where: short stacking energy: -36.459
Base-Backbone interact. energy: -0.193
local terms energy: -43.757514
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -82.077669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.077669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.077669 (E_RNA)
where:
Base-Base interactions energy: -29.631
where: short stacking energy: -23.781
Base-Backbone interact. energy: -0.195
local terms energy: -52.251649
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -194.804611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.804611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.804611 (E_RNA)
where:
Base-Base interactions energy: -124.576
where: short stacking energy: -63.525
Base-Backbone interact. energy: -0.195
local terms energy: -70.034061
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -14.284
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: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -207.614473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.614473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.614473 (E_RNA)
where:
Base-Base interactions energy: -129.757
where: short stacking energy: -73.346
Base-Backbone interact. energy: -0.353
local terms energy: -77.504337
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -22.317
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: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -204.925002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.925002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.925002 (E_RNA)
where:
Base-Base interactions energy: -129.912
where: short stacking energy: -72.526
Base-Backbone interact. energy: -0.000
local terms energy: -75.012068
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -11.200
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: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -173.381910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.381910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.381910 (E_RNA)
where:
Base-Base interactions energy: -111.191
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.129
local terms energy: -62.062099
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -155.748014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.748014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.748014 (E_RNA)
where:
Base-Base interactions energy: -93.188
where: short stacking energy: -51.086
Base-Backbone interact. energy: -0.033
local terms energy: -62.527173
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -9.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -95.577008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.577008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.577008 (E_RNA)
where:
Base-Base interactions energy: -45.626
where: short stacking energy: -42.823
Base-Backbone interact. energy: -0.049
local terms energy: -49.902067
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -7.983
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: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -89.079173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.079173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.079173 (E_RNA)
where:
Base-Base interactions energy: -38.591
where: short stacking energy: -23.113
Base-Backbone interact. energy: -0.016
local terms energy: -50.471824
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: 2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -120.952483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.952483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.952483 (E_RNA)
where:
Base-Base interactions energy: -65.043
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.165
local terms energy: -55.744777
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -88.812028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.812028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.812028 (E_RNA)
where:
Base-Base interactions energy: -37.784
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.226
local terms energy: -50.801391
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -7.877
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -2.357
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: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -81.942230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.942230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.942230 (E_RNA)
where:
Base-Base interactions energy: -34.393
where: short stacking energy: -30.502
Base-Backbone interact. energy: -0.389
local terms energy: -47.160571
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -6.615
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -198.784209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.784209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.784209 (E_RNA)
where:
Base-Base interactions energy: -118.163
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.755
local terms energy: -79.866100
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -202.824242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.824242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.824242 (E_RNA)
where:
Base-Base interactions energy: -135.046
where: short stacking energy: -60.838
Base-Backbone interact. energy: 0.038
local terms energy: -67.816037
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -16.746
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: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -199.886481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.886481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.886481 (E_RNA)
where:
Base-Base interactions energy: -132.422
where: short stacking energy: -56.469
Base-Backbone interact. energy: -0.417
local terms energy: -67.047204
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -178.325041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.325041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.325041 (E_RNA)
where:
Base-Base interactions energy: -105.402
where: short stacking energy: -57.070
Base-Backbone interact. energy: -1.059
local terms energy: -71.863212
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -144.212136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.212136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.212136 (E_RNA)
where:
Base-Base interactions energy: -86.142
where: short stacking energy: -46.641
Base-Backbone interact. energy: -0.025
local terms energy: -58.045625
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -125.545803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.545803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.545803 (E_RNA)
where:
Base-Base interactions energy: -65.673
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.739
local terms energy: -59.134085
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -9.852
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: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -89.495067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.495067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.495067 (E_RNA)
where:
Base-Base interactions energy: -39.421
where: short stacking energy: -36.191
Base-Backbone interact. energy: -0.171
local terms energy: -49.902332
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -132.448903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.448903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.448903 (E_RNA)
where:
Base-Base interactions energy: -79.311
where: short stacking energy: -35.146
Base-Backbone interact. energy: 0.427
local terms energy: -53.564711
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -91.137941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.137941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.137941 (E_RNA)
where:
Base-Base interactions energy: -50.274
where: short stacking energy: -50.274
Base-Backbone interact. energy: -0.025
local terms energy: -40.839267
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -8.405
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -8.191
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: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -75.797077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.797077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.797077 (E_RNA)
where:
Base-Base interactions energy: -30.612
where: short stacking energy: -26.232
Base-Backbone interact. energy: 2.521
local terms energy: -47.706677
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -5.621
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: 194
Temperature: 0.900000
Total energy: -216.876946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.876946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.876946 (E_RNA)
where:
Base-Base interactions energy: -137.304
where: short stacking energy: -72.225
Base-Backbone interact. energy: -0.082
local terms energy: -79.491300
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -201.999958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.999958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.999958 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -66.471
Base-Backbone interact. energy: -1.695
local terms energy: -75.821324
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -178.909876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.909876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.909876 (E_RNA)
where:
Base-Base interactions energy: -110.093
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.063
local terms energy: -68.753878
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -10.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -163.229124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.229124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.229124 (E_RNA)
where:
Base-Base interactions energy: -101.525
where: short stacking energy: -57.585
Base-Backbone interact. energy: -0.009
local terms energy: -61.695523
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -133.987094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.987094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.987094 (E_RNA)
where:
Base-Base interactions energy: -73.114
where: short stacking energy: -37.322
Base-Backbone interact. energy: -0.201
local terms energy: -60.672679
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -153.263581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.263581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.263581 (E_RNA)
where:
Base-Base interactions energy: -97.798
where: short stacking energy: -52.623
Base-Backbone interact. energy: -0.041
local terms energy: -55.424593
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -102.727753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.727753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.727753 (E_RNA)
where:
Base-Base interactions energy: -44.933
where: short stacking energy: -40.954
Base-Backbone interact. energy: -0.103
local terms energy: -57.692093
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -8.130
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: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -94.630419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.630419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.630419 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -15.932
Base-Backbone interact. energy: -0.323
local terms energy: -55.853606
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -85.089595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.089595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.089595 (E_RNA)
where:
Base-Base interactions energy: -31.641
where: short stacking energy: -26.620
Base-Backbone interact. energy: -0.124
local terms energy: -53.324835
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -8.289
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -3.785
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: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -81.151539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.151539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.151539 (E_RNA)
where:
Base-Base interactions energy: -30.727
where: short stacking energy: -30.727
Base-Backbone interact. energy: 0.648
local terms energy: -51.072318
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -4.840
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: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -216.068364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.068364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.068364 (E_RNA)
where:
Base-Base interactions energy: -137.264
where: short stacking energy: -64.407
Base-Backbone interact. energy: -0.405
local terms energy: -78.399554
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -14.677
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: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -192.948763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.948763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.948763 (E_RNA)
where:
Base-Base interactions energy: -118.054
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.003
local terms energy: -74.891184
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -187.347340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.347340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.347340 (E_RNA)
where:
Base-Base interactions energy: -120.235
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.039
local terms energy: -67.073309
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -12.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -164.143874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.143874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.143874 (E_RNA)
where:
Base-Base interactions energy: -101.931
where: short stacking energy: -58.132
Base-Backbone interact. energy: -0.017
local terms energy: -62.195894
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -9.369
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: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -133.715109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.715109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.715109 (E_RNA)
where:
Base-Base interactions energy: -74.986
where: short stacking energy: -45.739
Base-Backbone interact. energy: -0.496
local terms energy: -58.232958
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -162.516627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.516627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.516627 (E_RNA)
where:
Base-Base interactions energy: -92.813
where: short stacking energy: -47.705
Base-Backbone interact. energy: -0.032
local terms energy: -69.671759
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -12.648
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: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -93.784366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.784366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.784366 (E_RNA)
where:
Base-Base interactions energy: -35.117
where: short stacking energy: -35.117
Base-Backbone interact. energy: -0.071
local terms energy: -58.596269
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -83.564934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.564934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.564934 (E_RNA)
where:
Base-Base interactions energy: -25.715
where: short stacking energy: -25.715
Base-Backbone interact. energy: -0.320
local terms energy: -57.530660
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -78.760021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.760021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.760021 (E_RNA)
where:
Base-Base interactions energy: -27.582
where: short stacking energy: -23.649
Base-Backbone interact. energy: -0.373
local terms energy: -50.804696
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -10.207
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: 10, replica: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -88.468642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.468642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.468642 (E_RNA)
where:
Base-Base interactions energy: -55.068
where: short stacking energy: -35.018
Base-Backbone interact. energy: 1.343
local terms energy: -34.743614
where:
bonds (distance) C4'-P energy: -1.305
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: 0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -223.071231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.071231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.071231 (E_RNA)
where:
Base-Base interactions energy: -148.961
where: short stacking energy: -66.970
Base-Backbone interact. energy: -0.735
local terms energy: -73.375098
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -173.817223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.817223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.817223 (E_RNA)
where:
Base-Base interactions energy: -105.736
where: short stacking energy: -62.004
Base-Backbone interact. energy: -2.237
local terms energy: -65.844724
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -194.158234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158234 (E_RNA)
where:
Base-Base interactions energy: -126.652
where: short stacking energy: -59.217
Base-Backbone interact. energy: -0.597
local terms energy: -66.908968
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -174.024984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.024984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.024984 (E_RNA)
where:
Base-Base interactions energy: -104.765
where: short stacking energy: -56.165
Base-Backbone interact. energy: -0.286
local terms energy: -68.974587
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -160.408607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.408607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.408607 (E_RNA)
where:
Base-Base interactions energy: -96.589
where: short stacking energy: -50.680
Base-Backbone interact. energy: -0.681
local terms energy: -63.138666
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -10.025
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: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -113.342998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.342998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.342998 (E_RNA)
where:
Base-Base interactions energy: -59.299
where: short stacking energy: -37.029
Base-Backbone interact. energy: -0.148
local terms energy: -53.896558
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -91.466836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.466836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.466836 (E_RNA)
where:
Base-Base interactions energy: -32.252
where: short stacking energy: -32.252
Base-Backbone interact. energy: -0.000
local terms energy: -59.214808
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -93.539710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.539710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.539710 (E_RNA)
where:
Base-Base interactions energy: -49.965
where: short stacking energy: -34.134
Base-Backbone interact. energy: -0.018
local terms energy: -43.556865
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -84.372808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.372808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.372808 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -29.549
Base-Backbone interact. energy: -0.316
local terms energy: -40.403959
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: 1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -72.942415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.942415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.942415 (E_RNA)
where:
Base-Base interactions energy: -28.062
where: short stacking energy: -26.335
Base-Backbone interact. energy: -0.173
local terms energy: -44.707275
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -212.464939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.464939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.464939 (E_RNA)
where:
Base-Base interactions energy: -141.539
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.168
local terms energy: -70.758764
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -17.263
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: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -205.725343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.725343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.725343 (E_RNA)
where:
Base-Base interactions energy: -124.319
where: short stacking energy: -67.173
Base-Backbone interact. energy: -0.050
local terms energy: -81.356849
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -173.024620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.024620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.024620 (E_RNA)
where:
Base-Base interactions energy: -103.138
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.314
local terms energy: -69.571911
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -157.626111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.626111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.626111 (E_RNA)
where:
Base-Base interactions energy: -92.502
where: short stacking energy: -52.088
Base-Backbone interact. energy: 0.138
local terms energy: -65.261424
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -14.608
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: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -159.180584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.180584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.180584 (E_RNA)
where:
Base-Base interactions energy: -93.986
where: short stacking energy: -50.522
Base-Backbone interact. energy: -0.036
local terms energy: -65.157981
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -122.654067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.654067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.654067 (E_RNA)
where:
Base-Base interactions energy: -67.737
where: short stacking energy: -42.222
Base-Backbone interact. energy: -0.155
local terms energy: -54.761956
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.392
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: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -97.938758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.938758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.938758 (E_RNA)
where:
Base-Base interactions energy: -37.101
where: short stacking energy: -37.101
Base-Backbone interact. energy: -0.277
local terms energy: -60.560376
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.955
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: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -98.436950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.436950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.436950 (E_RNA)
where:
Base-Base interactions energy: -48.987
where: short stacking energy: -31.135
Base-Backbone interact. energy: 0.855
local terms energy: -50.305072
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -6.552
flat angles P-C4'-P energy: -10.206
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: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -80.263040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.263040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.263040 (E_RNA)
where:
Base-Base interactions energy: -25.857
where: short stacking energy: -26.957
Base-Backbone interact. energy: -0.010
local terms energy: -54.395827
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -82.222131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.222131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.222131 (E_RNA)
where:
Base-Base interactions energy: -25.502
where: short stacking energy: -25.502
Base-Backbone interact. energy: -0.003
local terms energy: -56.716416
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -209.891182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.891182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.891182 (E_RNA)
where:
Base-Base interactions energy: -137.962
where: short stacking energy: -62.838
Base-Backbone interact. energy: -0.037
local terms energy: -71.891983
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -203.223075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.223075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223075 (E_RNA)
where:
Base-Base interactions energy: -135.070
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.197
local terms energy: -67.956453
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -15.619
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: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -173.997774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.997774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.997774 (E_RNA)
where:
Base-Base interactions energy: -102.066
where: short stacking energy: -52.012
Base-Backbone interact. energy: -0.034
local terms energy: -71.897848
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -14.405
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: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -160.438693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.438693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.438693 (E_RNA)
where:
Base-Base interactions energy: -95.124
where: short stacking energy: -47.965
Base-Backbone interact. energy: -1.171
local terms energy: -64.144369
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -159.774524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.774524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.774524 (E_RNA)
where:
Base-Base interactions energy: -93.880
where: short stacking energy: -48.069
Base-Backbone interact. energy: -0.016
local terms energy: -65.878712
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -13.199
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: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -140.572645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.572645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.572645 (E_RNA)
where:
Base-Base interactions energy: -80.661
where: short stacking energy: -60.113
Base-Backbone interact. energy: -0.052
local terms energy: -59.859639
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -114.019381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.019381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.019381 (E_RNA)
where:
Base-Base interactions energy: -59.870
where: short stacking energy: -47.973
Base-Backbone interact. energy: -0.111
local terms energy: -54.037814
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -5.797
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: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -87.710097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.710097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.710097 (E_RNA)
where:
Base-Base interactions energy: -36.465
where: short stacking energy: -36.465
Base-Backbone interact. energy: -0.011
local terms energy: -51.234155
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -6.834
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: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -88.873027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.873027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.873027 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -30.869
Base-Backbone interact. energy: -0.145
local terms energy: -52.818580
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -5.414
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: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -71.553718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.553718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.553718 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -28.153
Base-Backbone interact. energy: -0.142
local terms energy: -38.782667
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -9.696
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: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -213.787100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.787100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.787100 (E_RNA)
where:
Base-Base interactions energy: -142.135
where: short stacking energy: -64.941
Base-Backbone interact. energy: -0.064
local terms energy: -71.588665
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -18.222
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: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -214.205053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.205053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.205053 (E_RNA)
where:
Base-Base interactions energy: -139.508
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.058
local terms energy: -74.638611
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -15.787
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: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -178.882538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.882538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.882538 (E_RNA)
where:
Base-Base interactions energy: -109.990
where: short stacking energy: -59.846
Base-Backbone interact. energy: -0.048
local terms energy: -68.844097
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -4.232
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: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -164.971914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.971914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.971914 (E_RNA)
where:
Base-Base interactions energy: -98.276
where: short stacking energy: -52.804
Base-Backbone interact. energy: -0.046
local terms energy: -66.650415
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -155.320965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.320965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.320965 (E_RNA)
where:
Base-Base interactions energy: -91.152
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.452
local terms energy: -63.716997
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -148.664388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.664388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.664388 (E_RNA)
where:
Base-Base interactions energy: -87.666
where: short stacking energy: -47.050
Base-Backbone interact. energy: -0.452
local terms energy: -60.546083
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -106.526484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.526484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.526484 (E_RNA)
where:
Base-Base interactions energy: -52.120
where: short stacking energy: -33.170
Base-Backbone interact. energy: -0.733
local terms energy: -53.673574
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -82.527338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.527338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.527338 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -36.470
Base-Backbone interact. energy: -0.103
local terms energy: -45.954352
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -85.976612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.976612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.976612 (E_RNA)
where:
Base-Base interactions energy: -39.688
where: short stacking energy: -39.688
Base-Backbone interact. energy: -0.145
local terms energy: -46.143118
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -4.679
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: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -86.721321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.721321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.721321 (E_RNA)
where:
Base-Base interactions energy: -32.980
where: short stacking energy: -32.980
Base-Backbone interact. energy: -0.013
local terms energy: -53.728663
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -215.373003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.373003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.373003 (E_RNA)
where:
Base-Base interactions energy: -137.678
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.472
local terms energy: -77.223361
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -216.220373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.220373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.220373 (E_RNA)
where:
Base-Base interactions energy: -138.408
where: short stacking energy: -68.231
Base-Backbone interact. energy: -0.039
local terms energy: -77.774216
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -20.359
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: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -177.837062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.837062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.837062 (E_RNA)
where:
Base-Base interactions energy: -109.422
where: short stacking energy: -54.584
Base-Backbone interact. energy: 0.779
local terms energy: -69.193736
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -11.107
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: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -165.640917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.640917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.640917 (E_RNA)
where:
Base-Base interactions energy: -98.409
where: short stacking energy: -50.753
Base-Backbone interact. energy: -0.167
local terms energy: -67.064759
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -142.117643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.117643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.117643 (E_RNA)
where:
Base-Base interactions energy: -84.305
where: short stacking energy: -42.795
Base-Backbone interact. energy: -0.035
local terms energy: -57.777364
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -185.389021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.389021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.389021 (E_RNA)
where:
Base-Base interactions energy: -119.143
where: short stacking energy: -58.001
Base-Backbone interact. energy: -0.154
local terms energy: -66.091908
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -11.306
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: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -87.166652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.166652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.166652 (E_RNA)
where:
Base-Base interactions energy: -40.183
where: short stacking energy: -23.336
Base-Backbone interact. energy: -0.079
local terms energy: -46.904555
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -8.526
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -78.920534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.920534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.920534 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -28.046
Base-Backbone interact. energy: -0.135
local terms energy: -42.454089
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -0.696
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: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -82.220870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.220870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.220870 (E_RNA)
where:
Base-Base interactions energy: -35.922
where: short stacking energy: -32.161
Base-Backbone interact. energy: -0.350
local terms energy: -45.948221
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -6.952
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: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -99.313427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.313427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.313427 (E_RNA)
where:
Base-Base interactions energy: -42.194
where: short stacking energy: -39.705
Base-Backbone interact. energy: -0.105
local terms energy: -57.014916
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -217.766984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.766984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.766984 (E_RNA)
where:
Base-Base interactions energy: -139.544
where: short stacking energy: -67.666
Base-Backbone interact. energy: -0.014
local terms energy: -78.208749
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -216.221621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.221621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.221621 (E_RNA)
where:
Base-Base interactions energy: -141.378
where: short stacking energy: -68.724
Base-Backbone interact. energy: -0.012
local terms energy: -74.831341
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -178.205923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.205923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.205923 (E_RNA)
where:
Base-Base interactions energy: -98.314
where: short stacking energy: -53.111
Base-Backbone interact. energy: -0.062
local terms energy: -79.830003
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -173.334795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.334795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.334795 (E_RNA)
where:
Base-Base interactions energy: -106.483
where: short stacking energy: -56.812
Base-Backbone interact. energy: -0.169
local terms energy: -66.683078
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -146.167958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.167958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.167958 (E_RNA)
where:
Base-Base interactions energy: -91.833
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.262
local terms energy: -54.072764
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -9.973
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: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -141.472981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.472981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.472981 (E_RNA)
where:
Base-Base interactions energy: -83.430
where: short stacking energy: -37.339
Base-Backbone interact. energy: -0.811
local terms energy: -57.231710
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -92.547740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.547740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.547740 (E_RNA)
where:
Base-Base interactions energy: -34.629
where: short stacking energy: -34.629
Base-Backbone interact. energy: -0.022
local terms energy: -57.896060
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -79.624334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.624334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.624334 (E_RNA)
where:
Base-Base interactions energy: -26.998
where: short stacking energy: -25.307
Base-Backbone interact. energy: -0.140
local terms energy: -52.485723
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -93.059166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.059166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.059166 (E_RNA)
where:
Base-Base interactions energy: -29.703
where: short stacking energy: -27.539
Base-Backbone interact. energy: -1.265
local terms energy: -62.091636
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -84.430641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.430641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.430641 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -29.225
Base-Backbone interact. energy: -0.184
local terms energy: -49.940431
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -11.276
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -7.354
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: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -215.063686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.063686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.063686 (E_RNA)
where:
Base-Base interactions energy: -134.957
where: short stacking energy: -61.208
Base-Backbone interact. energy: -0.677
local terms energy: -79.429821
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -11.494
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: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -205.463723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.463723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.463723 (E_RNA)
where:
Base-Base interactions energy: -124.812
where: short stacking energy: -69.945
Base-Backbone interact. energy: 0.717
local terms energy: -81.369008
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -21.499
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: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -175.398713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.398713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.398713 (E_RNA)
where:
Base-Base interactions energy: -116.920
where: short stacking energy: -57.353
Base-Backbone interact. energy: -0.877
local terms energy: -57.601879
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -173.043753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.043753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.043753 (E_RNA)
where:
Base-Base interactions energy: -104.340
where: short stacking energy: -51.802
Base-Backbone interact. energy: -0.125
local terms energy: -68.578842
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -173.773709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.773709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.773709 (E_RNA)
where:
Base-Base interactions energy: -103.142
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.006
local terms energy: -70.626098
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -130.628380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.628380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.628380 (E_RNA)
where:
Base-Base interactions energy: -73.974
where: short stacking energy: -40.455
Base-Backbone interact. energy: -1.099
local terms energy: -55.556167
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -11.321
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: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -81.706483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.706483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.706483 (E_RNA)
where:
Base-Base interactions energy: -28.505
where: short stacking energy: -23.656
Base-Backbone interact. energy: 0.164
local terms energy: -53.366040
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -2.085
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: 202
Temperature: 1.250000
Total energy: -87.706927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.706927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.706927 (E_RNA)
where:
Base-Base interactions energy: -31.988
where: short stacking energy: -31.988
Base-Backbone interact. energy: -0.123
local terms energy: -55.595526
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -77.854457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.854457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.854457 (E_RNA)
where:
Base-Base interactions energy: -29.171
where: short stacking energy: -18.563
Base-Backbone interact. energy: 0.121
local terms energy: -48.804083
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -1.252
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: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -85.126436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.126436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.126436 (E_RNA)
where:
Base-Base interactions energy: -31.611
where: short stacking energy: -23.519
Base-Backbone interact. energy: -0.276
local terms energy: -53.239713
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -4.130
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: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -217.665115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.665115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.665115 (E_RNA)
where:
Base-Base interactions energy: -132.779
where: short stacking energy: -68.475
Base-Backbone interact. energy: -0.315
local terms energy: -84.571297
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -21.456
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: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -208.959694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.959694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.959694 (E_RNA)
where:
Base-Base interactions energy: -126.577
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.298
local terms energy: -82.084835
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -20.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -171.890302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.890302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.890302 (E_RNA)
where:
Base-Base interactions energy: -108.370
where: short stacking energy: -53.026
Base-Backbone interact. energy: -0.134
local terms energy: -63.386717
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -169.895394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.895394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.895394 (E_RNA)
where:
Base-Base interactions energy: -108.079
where: short stacking energy: -48.682
Base-Backbone interact. energy: -0.575
local terms energy: -61.241037
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -160.474146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.474146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.474146 (E_RNA)
where:
Base-Base interactions energy: -101.713
where: short stacking energy: -49.855
Base-Backbone interact. energy: -0.097
local terms energy: -58.664138
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -7.238
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: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -133.565190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.565190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.565190 (E_RNA)
where:
Base-Base interactions energy: -80.441
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.705
local terms energy: -52.419664
where:
bonds (distance) C4'-P energy: -8.325
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -8.731
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: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -82.983942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983942 (E_RNA)
where:
Base-Base interactions energy: -31.851
where: short stacking energy: -28.036
Base-Backbone interact. energy: 0.373
local terms energy: -51.506471
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -86.816241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.816241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.816241 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -30.130
Base-Backbone interact. energy: -0.116
local terms energy: -49.431995
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -83.692338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.692338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.692338 (E_RNA)
where:
Base-Base interactions energy: -36.605
where: short stacking energy: -32.391
Base-Backbone interact. energy: -0.024
local terms energy: -47.063101
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -77.866327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.866327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.866327 (E_RNA)
where:
Base-Base interactions energy: -29.803
where: short stacking energy: -23.982
Base-Backbone interact. energy: 0.685
local terms energy: -48.748666
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -1.216
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -213.619252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.619252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.619252 (E_RNA)
where:
Base-Base interactions energy: -137.691
where: short stacking energy: -69.036
Base-Backbone interact. energy: -0.000
local terms energy: -75.927891
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -207.524114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.524114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.524114 (E_RNA)
where:
Base-Base interactions energy: -132.630
where: short stacking energy: -67.155
Base-Backbone interact. energy: -0.349
local terms energy: -74.545597
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -196.076004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.076004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.076004 (E_RNA)
where:
Base-Base interactions energy: -121.871
where: short stacking energy: -68.755
Base-Backbone interact. energy: -0.016
local terms energy: -74.189074
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.596
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: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -158.924026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.924026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.924026 (E_RNA)
where:
Base-Base interactions energy: -97.290
where: short stacking energy: -52.272
Base-Backbone interact. energy: -0.517
local terms energy: -61.116785
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -11.971
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: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -174.081800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.081800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.081800 (E_RNA)
where:
Base-Base interactions energy: -104.879
where: short stacking energy: -53.777
Base-Backbone interact. energy: -0.551
local terms energy: -68.651355
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -152.030871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.030871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.030871 (E_RNA)
where:
Base-Base interactions energy: -85.212
where: short stacking energy: -48.920
Base-Backbone interact. energy: -0.188
local terms energy: -66.630837
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -99.110308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.110308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.110308 (E_RNA)
where:
Base-Base interactions energy: -40.558
where: short stacking energy: -38.571
Base-Backbone interact. energy: -0.203
local terms energy: -58.349487
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -8.546
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: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -92.558192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.558192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.558192 (E_RNA)
where:
Base-Base interactions energy: -32.287
where: short stacking energy: -32.197
Base-Backbone interact. energy: -0.202
local terms energy: -60.069840
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -79.666234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.666234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.666234 (E_RNA)
where:
Base-Base interactions energy: -30.647
where: short stacking energy: -30.647
Base-Backbone interact. energy: -0.045
local terms energy: -48.974184
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -2.074
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: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -87.064344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.064344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.064344 (E_RNA)
where:
Base-Base interactions energy: -40.360
where: short stacking energy: -25.867
Base-Backbone interact. energy: -0.741
local terms energy: -45.962899
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -212.922221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.922221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.922221 (E_RNA)
where:
Base-Base interactions energy: -138.616
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.001
local terms energy: -74.305511
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -195.709373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.709373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.709373 (E_RNA)
where:
Base-Base interactions energy: -127.628
where: short stacking energy: -65.146
Base-Backbone interact. energy: -1.948
local terms energy: -66.132759
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -194.641774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.641774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.641774 (E_RNA)
where:
Base-Base interactions energy: -118.230
where: short stacking energy: -72.722
Base-Backbone interact. energy: -0.039
local terms energy: -76.373296
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -172.637026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.637026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.637026 (E_RNA)
where:
Base-Base interactions energy: -103.490
where: short stacking energy: -48.603
Base-Backbone interact. energy: -0.159
local terms energy: -68.987777
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -144.866046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.866046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.866046 (E_RNA)
where:
Base-Base interactions energy: -86.226
where: short stacking energy: -48.208
Base-Backbone interact. energy: -0.432
local terms energy: -58.208724
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -8.186
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: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -155.857226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.857226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.857226 (E_RNA)
where:
Base-Base interactions energy: -86.176
where: short stacking energy: -49.862
Base-Backbone interact. energy: 0.236
local terms energy: -69.916859
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -88.691307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.691307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.691307 (E_RNA)
where:
Base-Base interactions energy: -31.546
where: short stacking energy: -28.223
Base-Backbone interact. energy: -0.029
local terms energy: -57.116387
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -3.155
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: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -103.769382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.769382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.769382 (E_RNA)
where:
Base-Base interactions energy: -47.088
where: short stacking energy: -44.806
Base-Backbone interact. energy: -1.054
local terms energy: -55.626977
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -96.986850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986850 (E_RNA)
where:
Base-Base interactions energy: -35.756
where: short stacking energy: -30.456
Base-Backbone interact. energy: -0.506
local terms energy: -60.724751
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -1.775
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: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -77.242337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.242337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.242337 (E_RNA)
where:
Base-Base interactions energy: -32.556
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.154
local terms energy: -44.532630
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -2.164
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -208.559524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.559524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.559524 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -63.450
Base-Backbone interact. energy: -0.141
local terms energy: -72.130898
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.789
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: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -208.427402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.427402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.427402 (E_RNA)
where:
Base-Base interactions energy: -130.621
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.001
local terms energy: -77.805969
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -186.989438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.989438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.989438 (E_RNA)
where:
Base-Base interactions energy: -112.457
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.644
local terms energy: -73.888698
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -175.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.092146 (E_RNA)
where:
Base-Base interactions energy: -105.301
where: short stacking energy: -60.251
Base-Backbone interact. energy: -0.099
local terms energy: -69.692146
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -171.247673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.247673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.247673 (E_RNA)
where:
Base-Base interactions energy: -105.090
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.353
local terms energy: -65.804840
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -144.710644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.710644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.710644 (E_RNA)
where:
Base-Base interactions energy: -85.798
where: short stacking energy: -39.612
Base-Backbone interact. energy: -0.665
local terms energy: -58.247147
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -93.144063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.144063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.144063 (E_RNA)
where:
Base-Base interactions energy: -39.427
where: short stacking energy: -29.798
Base-Backbone interact. energy: -0.043
local terms energy: -53.674479
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -88.270184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.270184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.270184 (E_RNA)
where:
Base-Base interactions energy: -32.073
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.064
local terms energy: -56.132527
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -94.109624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.109624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.109624 (E_RNA)
where:
Base-Base interactions energy: -38.809
where: short stacking energy: -38.613
Base-Backbone interact. energy: -0.053
local terms energy: -55.247328
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -82.813523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.813523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.813523 (E_RNA)
where:
Base-Base interactions energy: -28.511
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.445
local terms energy: -53.856940
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -221.211456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.211456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.211456 (E_RNA)
where:
Base-Base interactions energy: -136.079
where: short stacking energy: -72.573
Base-Backbone interact. energy: -0.625
local terms energy: -84.507238
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -205.704603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.704603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.704603 (E_RNA)
where:
Base-Base interactions energy: -129.131
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.010
local terms energy: -76.563967
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -169.089877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.089877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.089877 (E_RNA)
where:
Base-Base interactions energy: -96.294
where: short stacking energy: -59.284
Base-Backbone interact. energy: -0.001
local terms energy: -72.794011
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.864
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: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -188.486602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.486602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.486602 (E_RNA)
where:
Base-Base interactions energy: -119.484
where: short stacking energy: -68.802
Base-Backbone interact. energy: -0.028
local terms energy: -68.974244
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -163.395746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.395746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.395746 (E_RNA)
where:
Base-Base interactions energy: -105.240
where: short stacking energy: -58.736
Base-Backbone interact. energy: -0.496
local terms energy: -57.660162
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -13.342
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: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -143.030283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.030283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.030283 (E_RNA)
where:
Base-Base interactions energy: -91.389
where: short stacking energy: -42.593
Base-Backbone interact. energy: -0.282
local terms energy: -51.358906
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -90.360024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.360024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.360024 (E_RNA)
where:
Base-Base interactions energy: -37.526
where: short stacking energy: -35.173
Base-Backbone interact. energy: -0.217
local terms energy: -52.617258
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -2.537
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: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -84.704510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.704510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.704510 (E_RNA)
where:
Base-Base interactions energy: -45.098
where: short stacking energy: -20.710
Base-Backbone interact. energy: -0.129
local terms energy: -39.477385
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -2.925
tors. eta vs tors. theta energy: 3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -86.377959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.377959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.377959 (E_RNA)
where:
Base-Base interactions energy: -32.351
where: short stacking energy: -29.514
Base-Backbone interact. energy: -0.021
local terms energy: -54.005507
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -81.356503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.356503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.356503 (E_RNA)
where:
Base-Base interactions energy: -34.347
where: short stacking energy: -26.489
Base-Backbone interact. energy: -0.282
local terms energy: -46.727572
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -216.997288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.997288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.997288 (E_RNA)
where:
Base-Base interactions energy: -138.278
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.836
local terms energy: -77.883322
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -205.435486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.435486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.435486 (E_RNA)
where:
Base-Base interactions energy: -130.659
where: short stacking energy: -75.799
Base-Backbone interact. energy: -0.015
local terms energy: -74.762214
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -171.650833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.650833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.650833 (E_RNA)
where:
Base-Base interactions energy: -108.093
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.650
local terms energy: -62.908206
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -184.999812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.999812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.999812 (E_RNA)
where:
Base-Base interactions energy: -119.509
where: short stacking energy: -69.650
Base-Backbone interact. energy: -0.024
local terms energy: -65.466356
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -175.952869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.952869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.952869 (E_RNA)
where:
Base-Base interactions energy: -109.915
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.100
local terms energy: -65.937073
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -16.252
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: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -115.775685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.775685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.775685 (E_RNA)
where:
Base-Base interactions energy: -57.799
where: short stacking energy: -40.280
Base-Backbone interact. energy: 0.114
local terms energy: -58.090782
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -8.505
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: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -94.858006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.858006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.858006 (E_RNA)
where:
Base-Base interactions energy: -43.090
where: short stacking energy: -36.340
Base-Backbone interact. energy: -1.091
local terms energy: -50.677121
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: 2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -108.603937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.603937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.603937 (E_RNA)
where:
Base-Base interactions energy: -53.897
where: short stacking energy: -43.454
Base-Backbone interact. energy: -0.164
local terms energy: -54.542880
where:
bonds (distance) C4'-P energy: -7.547
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -79.051824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.051824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.051824 (E_RNA)
where:
Base-Base interactions energy: -29.266
where: short stacking energy: -28.485
Base-Backbone interact. energy: 0.059
local terms energy: -49.844011
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -76.945850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.945850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.945850 (E_RNA)
where:
Base-Base interactions energy: -29.214
where: short stacking energy: -19.349
Base-Backbone interact. energy: -0.728
local terms energy: -47.003910
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -213.020672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.020672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.020672 (E_RNA)
where:
Base-Base interactions energy: -136.697
where: short stacking energy: -66.631
Base-Backbone interact. energy: 0.390
local terms energy: -76.714332
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -11.313
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: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -212.111794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.111794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.111794 (E_RNA)
where:
Base-Base interactions energy: -130.717
where: short stacking energy: -74.235
Base-Backbone interact. energy: -0.430
local terms energy: -80.964044
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -11.497
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: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -178.534840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.534840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.534840 (E_RNA)
where:
Base-Base interactions energy: -105.551
where: short stacking energy: -61.431
Base-Backbone interact. energy: -0.023
local terms energy: -72.960761
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -8.896
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: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -180.872903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.872903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.872903 (E_RNA)
where:
Base-Base interactions energy: -116.038
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.056
local terms energy: -64.778660
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -163.359215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.359215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.359215 (E_RNA)
where:
Base-Base interactions energy: -102.257
where: short stacking energy: -49.320
Base-Backbone interact. energy: -0.106
local terms energy: -60.995519
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -13.546
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: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -102.706849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.706849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.706849 (E_RNA)
where:
Base-Base interactions energy: -46.662
where: short stacking energy: -45.125
Base-Backbone interact. energy: -0.118
local terms energy: -55.926278
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -97.420766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.420766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.420766 (E_RNA)
where:
Base-Base interactions energy: -41.472
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.450
local terms energy: -55.499443
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -88.202382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.202382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.202382 (E_RNA)
where:
Base-Base interactions energy: -31.534
where: short stacking energy: -28.940
Base-Backbone interact. energy: -0.217
local terms energy: -56.451050
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -78.457261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.457261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.457261 (E_RNA)
where:
Base-Base interactions energy: -31.735
where: short stacking energy: -31.508
Base-Backbone interact. energy: -0.097
local terms energy: -46.624990
where:
bonds (distance) C4'-P energy: -7.701
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -83.020923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.020923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.020923 (E_RNA)
where:
Base-Base interactions energy: -40.602
where: short stacking energy: -24.294
Base-Backbone interact. energy: -0.401
local terms energy: -42.017626
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -197.906620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.906620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.906620 (E_RNA)
where:
Base-Base interactions energy: -120.572
where: short stacking energy: -60.341
Base-Backbone interact. energy: -0.167
local terms energy: -77.167759
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -208.241476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.241476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.241476 (E_RNA)
where:
Base-Base interactions energy: -132.620
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.301
local terms energy: -75.320909
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -177.803596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.803596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.803596 (E_RNA)
where:
Base-Base interactions energy: -106.594
where: short stacking energy: -59.783
Base-Backbone interact. energy: -0.218
local terms energy: -70.992029
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -189.517027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.517027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.517027 (E_RNA)
where:
Base-Base interactions energy: -110.092
where: short stacking energy: -69.650
Base-Backbone interact. energy: -1.433
local terms energy: -77.992129
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -166.932979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.932979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.932979 (E_RNA)
where:
Base-Base interactions energy: -104.615
where: short stacking energy: -62.760
Base-Backbone interact. energy: -0.100
local terms energy: -62.217739
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -94.211676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.211676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.211676 (E_RNA)
where:
Base-Base interactions energy: -49.147
where: short stacking energy: -31.125
Base-Backbone interact. energy: -0.376
local terms energy: -44.688575
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -88.899804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.899804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.899804 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -30.735
Base-Backbone interact. energy: -0.079
local terms energy: -49.475310
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -110.771803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.771803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.771803 (E_RNA)
where:
Base-Base interactions energy: -64.404
where: short stacking energy: -33.875
Base-Backbone interact. energy: -0.328
local terms energy: -46.040228
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -107.279637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.279637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.279637 (E_RNA)
where:
Base-Base interactions energy: -54.409
where: short stacking energy: -40.818
Base-Backbone interact. energy: -0.031
local terms energy: -52.840562
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -10.024
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: 210
Temperature: 1.350000
Total energy: -75.273732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.273732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.273732 (E_RNA)
where:
Base-Base interactions energy: -27.194
where: short stacking energy: -23.219
Base-Backbone interact. energy: -0.129
local terms energy: -47.950517
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -212.679450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.679450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.679450 (E_RNA)
where:
Base-Base interactions energy: -135.173
where: short stacking energy: -75.429
Base-Backbone interact. energy: -0.069
local terms energy: -77.437640
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -19.095
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: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -214.761095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.761095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.761095 (E_RNA)
where:
Base-Base interactions energy: -131.113
where: short stacking energy: -69.679
Base-Backbone interact. energy: -1.214
local terms energy: -82.434721
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.777
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: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -193.511229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.511229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.511229 (E_RNA)
where:
Base-Base interactions energy: -120.657
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.211
local terms energy: -72.644005
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -18.660
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: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -166.746424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.746424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.746424 (E_RNA)
where:
Base-Base interactions energy: -102.432
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.013
local terms energy: -64.301053
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -162.661442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.661442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.661442 (E_RNA)
where:
Base-Base interactions energy: -102.020
where: short stacking energy: -47.041
Base-Backbone interact. energy: -0.600
local terms energy: -60.041918
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -134.139020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.139020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.139020 (E_RNA)
where:
Base-Base interactions energy: -73.787
where: short stacking energy: -43.059
Base-Backbone interact. energy: -0.158
local terms energy: -60.193845
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -89.749874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.749874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.749874 (E_RNA)
where:
Base-Base interactions energy: -34.105
where: short stacking energy: -35.005
Base-Backbone interact. energy: -0.886
local terms energy: -54.759261
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -81.334760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.334760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.334760 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -33.822
Base-Backbone interact. energy: -0.541
local terms energy: -46.971799
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -4.486
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: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -87.905053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.905053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.905053 (E_RNA)
where:
Base-Base interactions energy: -40.174
where: short stacking energy: -27.702
Base-Backbone interact. energy: -0.196
local terms energy: -47.535586
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -79.990052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.990052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.990052 (E_RNA)
where:
Base-Base interactions energy: -39.326
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.114
local terms energy: -40.549593
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -0.443
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: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -220.370989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.370989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.370989 (E_RNA)
where:
Base-Base interactions energy: -138.590
where: short stacking energy: -67.079
Base-Backbone interact. energy: -0.155
local terms energy: -81.626062
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -206.727557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.727557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.727557 (E_RNA)
where:
Base-Base interactions energy: -133.812
where: short stacking energy: -69.812
Base-Backbone interact. energy: -0.018
local terms energy: -72.897213
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -177.392828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.392828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.392828 (E_RNA)
where:
Base-Base interactions energy: -107.233
where: short stacking energy: -60.236
Base-Backbone interact. energy: -0.013
local terms energy: -70.147265
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -170.657674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.657674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.657674 (E_RNA)
where:
Base-Base interactions energy: -101.315
where: short stacking energy: -49.650
Base-Backbone interact. energy: -0.316
local terms energy: -69.026156
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -12.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -149.315729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.315729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.315729 (E_RNA)
where:
Base-Base interactions energy: -93.887
where: short stacking energy: -49.563
Base-Backbone interact. energy: -0.214
local terms energy: -55.215040
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -150.502589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.502589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.502589 (E_RNA)
where:
Base-Base interactions energy: -87.497
where: short stacking energy: -47.754
Base-Backbone interact. energy: -0.201
local terms energy: -62.804848
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -8.243
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -91.808791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.808791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.808791 (E_RNA)
where:
Base-Base interactions energy: -38.449
where: short stacking energy: -38.449
Base-Backbone interact. energy: 1.336
local terms energy: -54.696406
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -86.698299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.698299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.698299 (E_RNA)
where:
Base-Base interactions energy: -36.309
where: short stacking energy: -33.727
Base-Backbone interact. energy: -0.190
local terms energy: -50.199705
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -77.834257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.834257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.834257 (E_RNA)
where:
Base-Base interactions energy: -26.202
where: short stacking energy: -26.202
Base-Backbone interact. energy: -0.004
local terms energy: -51.628121
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -8.947
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: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -79.170533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.170533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.170533 (E_RNA)
where:
Base-Base interactions energy: -24.674
where: short stacking energy: -24.674
Base-Backbone interact. energy: -0.391
local terms energy: -54.106012
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -222.658717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.658717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.658717 (E_RNA)
where:
Base-Base interactions energy: -141.586
where: short stacking energy: -70.008
Base-Backbone interact. energy: -0.167
local terms energy: -80.905861
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -207.332806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.332806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.332806 (E_RNA)
where:
Base-Base interactions energy: -130.935
where: short stacking energy: -68.422
Base-Backbone interact. energy: -0.510
local terms energy: -75.887685
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -165.478992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.478992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.478992 (E_RNA)
where:
Base-Base interactions energy: -94.684
where: short stacking energy: -49.529
Base-Backbone interact. energy: -1.082
local terms energy: -69.712695
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -12.797
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: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -174.292990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.292990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.292990 (E_RNA)
where:
Base-Base interactions energy: -111.247
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.135
local terms energy: -62.911809
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.765
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: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -166.184985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.184985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.184985 (E_RNA)
where:
Base-Base interactions energy: -95.784
where: short stacking energy: -55.706
Base-Backbone interact. energy: -0.047
local terms energy: -70.354440
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -13.156
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: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -149.752639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.752639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.752639 (E_RNA)
where:
Base-Base interactions energy: -85.777
where: short stacking energy: -55.250
Base-Backbone interact. energy: -0.534
local terms energy: -63.442075
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -88.446719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.446719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.446719 (E_RNA)
where:
Base-Base interactions energy: -26.828
where: short stacking energy: -26.828
Base-Backbone interact. energy: -0.058
local terms energy: -61.560099
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -88.587293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.587293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.587293 (E_RNA)
where:
Base-Base interactions energy: -48.220
where: short stacking energy: -32.554
Base-Backbone interact. energy: -0.231
local terms energy: -40.135869
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -5.716
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -2.406
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: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -89.210324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.210324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.210324 (E_RNA)
where:
Base-Base interactions energy: -48.513
where: short stacking energy: -36.818
Base-Backbone interact. energy: -0.093
local terms energy: -40.603795
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: 0.251
tors. eta vs tors. theta energy: -4.833
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: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -80.428963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.428963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.428963 (E_RNA)
where:
Base-Base interactions energy: -22.900
where: short stacking energy: -22.900
Base-Backbone interact. energy: -0.015
local terms energy: -57.513766
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -214.717561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.717561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.717561 (E_RNA)
where:
Base-Base interactions energy: -139.030
where: short stacking energy: -71.710
Base-Backbone interact. energy: -0.253
local terms energy: -75.434126
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -218.062528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.062528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.062528 (E_RNA)
where:
Base-Base interactions energy: -140.663
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.001
local terms energy: -77.398406
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -179.812224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.812224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.812224 (E_RNA)
where:
Base-Base interactions energy: -108.077
where: short stacking energy: -64.757
Base-Backbone interact. energy: -0.155
local terms energy: -71.580961
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -169.903709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.903709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.903709 (E_RNA)
where:
Base-Base interactions energy: -102.882
where: short stacking energy: -52.440
Base-Backbone interact. energy: -0.354
local terms energy: -66.667589
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -154.519671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.519671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.519671 (E_RNA)
where:
Base-Base interactions energy: -94.360
where: short stacking energy: -37.528
Base-Backbone interact. energy: -1.191
local terms energy: -58.969041
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -154.910416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.910416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.910416 (E_RNA)
where:
Base-Base interactions energy: -101.104
where: short stacking energy: -44.207
Base-Backbone interact. energy: -0.140
local terms energy: -53.666634
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -6.406
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: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -122.081833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.081833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.081833 (E_RNA)
where:
Base-Base interactions energy: -59.105
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.006
local terms energy: -62.971130
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -84.032863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032863 (E_RNA)
where:
Base-Base interactions energy: -36.376
where: short stacking energy: -25.292
Base-Backbone interact. energy: -0.003
local terms energy: -47.653761
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -4.559
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: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -88.913712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.913712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.913712 (E_RNA)
where:
Base-Base interactions energy: -35.902
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.563
local terms energy: -52.449228
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -84.368325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.368325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.368325 (E_RNA)
where:
Base-Base interactions energy: -33.501
where: short stacking energy: -33.501
Base-Backbone interact. energy: 1.555
local terms energy: -52.422564
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -214.054919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.054919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.054919 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -67.065
Base-Backbone interact. energy: -0.623
local terms energy: -75.609192
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -217.653062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.653062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.653062 (E_RNA)
where:
Base-Base interactions energy: -141.940
where: short stacking energy: -75.172
Base-Backbone interact. energy: -0.046
local terms energy: -75.666305
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -169.070938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.070938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.070938 (E_RNA)
where:
Base-Base interactions energy: -100.646
where: short stacking energy: -55.057
Base-Backbone interact. energy: 2.592
local terms energy: -71.016730
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -11.621
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: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -170.756946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.756946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.756946 (E_RNA)
where:
Base-Base interactions energy: -100.383
where: short stacking energy: -40.179
Base-Backbone interact. energy: -0.152
local terms energy: -70.221957
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -12.441
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: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -159.368434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.368434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.368434 (E_RNA)
where:
Base-Base interactions energy: -92.474
where: short stacking energy: -57.796
Base-Backbone interact. energy: 0.676
local terms energy: -67.570474
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -141.270054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.270054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.270054 (E_RNA)
where:
Base-Base interactions energy: -85.515
where: short stacking energy: -49.085
Base-Backbone interact. energy: -0.269
local terms energy: -55.486366
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -6.669
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: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -86.611375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.611375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.611375 (E_RNA)
where:
Base-Base interactions energy: -45.123
where: short stacking energy: -39.932
Base-Backbone interact. energy: -0.237
local terms energy: -41.250887
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -80.033998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.033998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.033998 (E_RNA)
where:
Base-Base interactions energy: -26.264
where: short stacking energy: -21.103
Base-Backbone interact. energy: -0.084
local terms energy: -53.685984
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: 4.198
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: 215
Temperature: 1.300000
Total energy: -84.703254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.703254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.703254 (E_RNA)
where:
Base-Base interactions energy: -33.649
where: short stacking energy: -33.649
Base-Backbone interact. energy: -0.081
local terms energy: -50.973844
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -2.189
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: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -80.213389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.213389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.213389 (E_RNA)
where:
Base-Base interactions energy: -29.361
where: short stacking energy: -27.037
Base-Backbone interact. energy: 0.250
local terms energy: -51.102959
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -10.033
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: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -221.441145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.441145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.441145 (E_RNA)
where:
Base-Base interactions energy: -139.547
where: short stacking energy: -68.067
Base-Backbone interact. energy: -0.011
local terms energy: -81.883991
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -22.689
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: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -212.159350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.159350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.159350 (E_RNA)
where:
Base-Base interactions energy: -137.933
where: short stacking energy: -67.705
Base-Backbone interact. energy: -0.001
local terms energy: -74.226287
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -165.661234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.661234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.661234 (E_RNA)
where:
Base-Base interactions energy: -104.793
where: short stacking energy: -38.966
Base-Backbone interact. energy: -0.300
local terms energy: -60.567528
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -161.174740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.174740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.174740 (E_RNA)
where:
Base-Base interactions energy: -94.092
where: short stacking energy: -50.102
Base-Backbone interact. energy: -0.405
local terms energy: -66.677363
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -12.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -160.958677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.958677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.958677 (E_RNA)
where:
Base-Base interactions energy: -96.366
where: short stacking energy: -52.507
Base-Backbone interact. energy: -0.082
local terms energy: -64.510618
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.870
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: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -123.066603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.066603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.066603 (E_RNA)
where:
Base-Base interactions energy: -64.670
where: short stacking energy: -37.230
Base-Backbone interact. energy: -0.408
local terms energy: -57.988767
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -7.776
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: 7, replica: 2
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -99.392904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.392904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.392904 (E_RNA)
where:
Base-Base interactions energy: -39.897
where: short stacking energy: -34.017
Base-Backbone interact. energy: -0.313
local terms energy: -59.182909
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -7.614
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: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -93.106175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.106175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.106175 (E_RNA)
where:
Base-Base interactions energy: -38.766
where: short stacking energy: -31.216
Base-Backbone interact. energy: -0.058
local terms energy: -54.281614
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -85.130424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.130424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.130424 (E_RNA)
where:
Base-Base interactions energy: -31.529
where: short stacking energy: -31.529
Base-Backbone interact. energy: 1.587
local terms energy: -55.188741
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -3.761
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: 216
Temperature: 1.350000
Total energy: -76.136077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.136077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.136077 (E_RNA)
where:
Base-Base interactions energy: -30.490
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.179
local terms energy: -45.467262
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -6.485
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: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -201.580180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.580180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.580180 (E_RNA)
where:
Base-Base interactions energy: -127.010
where: short stacking energy: -69.220
Base-Backbone interact. energy: -0.220
local terms energy: -74.350043
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -9.176
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: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -207.626042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.626042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.626042 (E_RNA)
where:
Base-Base interactions energy: -135.799
where: short stacking energy: -66.856
Base-Backbone interact. energy: -0.005
local terms energy: -71.821898
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -19.899
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: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -194.974302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.974302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.974302 (E_RNA)
where:
Base-Base interactions energy: -123.948
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.012
local terms energy: -71.014707
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -11.224
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: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -164.447074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.447074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.447074 (E_RNA)
where:
Base-Base interactions energy: -97.424
where: short stacking energy: -52.987
Base-Backbone interact. energy: -0.028
local terms energy: -66.994856
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -159.471288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.471288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.471288 (E_RNA)
where:
Base-Base interactions energy: -91.560
where: short stacking energy: -55.510
Base-Backbone interact. energy: -0.202
local terms energy: -67.709704
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -138.449900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.449900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.449900 (E_RNA)
where:
Base-Base interactions energy: -79.331
where: short stacking energy: -40.220
Base-Backbone interact. energy: -0.128
local terms energy: -58.990867
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -94.420549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.420549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.420549 (E_RNA)
where:
Base-Base interactions energy: -38.748
where: short stacking energy: -38.748
Base-Backbone interact. energy: -0.214
local terms energy: -55.458588
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -89.426904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.426904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.426904 (E_RNA)
where:
Base-Base interactions energy: -36.085
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.112
local terms energy: -53.230533
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -8.964
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: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -85.154409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.154409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.154409 (E_RNA)
where:
Base-Base interactions energy: -32.598
where: short stacking energy: -32.598
Base-Backbone interact. energy: -0.242
local terms energy: -52.314351
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -78.740358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.740358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.740358 (E_RNA)
where:
Base-Base interactions energy: -28.047
where: short stacking energy: -28.047
Base-Backbone interact. energy: -0.187
local terms energy: -50.506880
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -3.216
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: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -216.291541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.291541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.291541 (E_RNA)
where:
Base-Base interactions energy: -135.252
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.758
local terms energy: -80.281534
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -21.273
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: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -202.401319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.401319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.401319 (E_RNA)
where:
Base-Base interactions energy: -137.130
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.100
local terms energy: -65.170597
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -13.118
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: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -185.144707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.144707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.144707 (E_RNA)
where:
Base-Base interactions energy: -117.553
where: short stacking energy: -60.824
Base-Backbone interact. energy: -0.171
local terms energy: -67.419976
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -168.422413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.422413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.422413 (E_RNA)
where:
Base-Base interactions energy: -104.395
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.044
local terms energy: -63.983293
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -178.641978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.641978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.641978 (E_RNA)
where:
Base-Base interactions energy: -115.555
where: short stacking energy: -47.608
Base-Backbone interact. energy: -0.181
local terms energy: -62.906090
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -147.987438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.987438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.987438 (E_RNA)
where:
Base-Base interactions energy: -94.906
where: short stacking energy: -42.195
Base-Backbone interact. energy: -0.993
local terms energy: -52.089130
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -88.964792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.964792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.964792 (E_RNA)
where:
Base-Base interactions energy: -30.731
where: short stacking energy: -30.731
Base-Backbone interact. energy: -0.053
local terms energy: -58.181145
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -86.861678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.861678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.861678 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -29.732
Base-Backbone interact. energy: 1.073
local terms energy: -52.581497
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -79.095330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.095330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.095330 (E_RNA)
where:
Base-Base interactions energy: -29.566
where: short stacking energy: -28.425
Base-Backbone interact. energy: -0.509
local terms energy: -49.020949
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -73.496269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.496269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.496269 (E_RNA)
where:
Base-Base interactions energy: -15.427
where: short stacking energy: -13.249
Base-Backbone interact. energy: -0.278
local terms energy: -57.790747
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -0.787
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: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -218.433962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.433962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.433962 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -73.484
Base-Backbone interact. energy: -0.058
local terms energy: -82.488981
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -14.426
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -205.476255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.476255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.476255 (E_RNA)
where:
Base-Base interactions energy: -138.642
where: short stacking energy: -61.680
Base-Backbone interact. energy: -1.673
local terms energy: -65.161140
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -182.750858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.750858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.750858 (E_RNA)
where:
Base-Base interactions energy: -110.112
where: short stacking energy: -53.310
Base-Backbone interact. energy: -0.074
local terms energy: -72.564660
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -184.996771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.996771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.996771 (E_RNA)
where:
Base-Base interactions energy: -111.627
where: short stacking energy: -54.329
Base-Backbone interact. energy: -0.173
local terms energy: -73.196617
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -158.732730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.732730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.732730 (E_RNA)
where:
Base-Base interactions energy: -98.588
where: short stacking energy: -53.703
Base-Backbone interact. energy: -0.240
local terms energy: -59.905041
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -100.369712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.369712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.369712 (E_RNA)
where:
Base-Base interactions energy: -43.874
where: short stacking energy: -41.799
Base-Backbone interact. energy: -0.042
local terms energy: -56.453746
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -108.479957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.479957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.479957 (E_RNA)
where:
Base-Base interactions energy: -57.698
where: short stacking energy: -33.061
Base-Backbone interact. energy: 0.045
local terms energy: -50.827422
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -99.926397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.926397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.926397 (E_RNA)
where:
Base-Base interactions energy: -46.486
where: short stacking energy: -41.666
Base-Backbone interact. energy: -0.068
local terms energy: -53.372442
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -13.637
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: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -84.015148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.015148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.015148 (E_RNA)
where:
Base-Base interactions energy: -30.209
where: short stacking energy: -30.209
Base-Backbone interact. energy: -0.189
local terms energy: -53.617230
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -9.204
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -76.939496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.939496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.939496 (E_RNA)
where:
Base-Base interactions energy: -21.849
where: short stacking energy: -21.849
Base-Backbone interact. energy: -0.052
local terms energy: -55.038302
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -209.773395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.773395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.773395 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -77.324
Base-Backbone interact. energy: -0.000
local terms energy: -65.519574
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -9.189
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -217.083713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.083713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.083713 (E_RNA)
where:
Base-Base interactions energy: -135.327
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.007
local terms energy: -81.749851
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -177.603049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.603049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.603049 (E_RNA)
where:
Base-Base interactions energy: -116.714
where: short stacking energy: -53.480
Base-Backbone interact. energy: -0.211
local terms energy: -60.678578
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -8.819
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: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -171.132001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.132001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.132001 (E_RNA)
where:
Base-Base interactions energy: -107.604
where: short stacking energy: -47.744
Base-Backbone interact. energy: -0.139
local terms energy: -63.389128
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -144.865863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.865863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.865863 (E_RNA)
where:
Base-Base interactions energy: -87.510
where: short stacking energy: -48.561
Base-Backbone interact. energy: -0.768
local terms energy: -56.587084
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -89.232116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.232116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.232116 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -35.602
Base-Backbone interact. energy: -0.077
local terms energy: -53.552992
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -90.012560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.012560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.012560 (E_RNA)
where:
Base-Base interactions energy: -34.907
where: short stacking energy: -25.840
Base-Backbone interact. energy: -0.098
local terms energy: -55.007832
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -7.714
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: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -84.248311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.248311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.248311 (E_RNA)
where:
Base-Base interactions energy: -32.812
where: short stacking energy: -30.215
Base-Backbone interact. energy: -0.125
local terms energy: -51.310839
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -83.724433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.724433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.724433 (E_RNA)
where:
Base-Base interactions energy: -34.102
where: short stacking energy: -30.752
Base-Backbone interact. energy: -0.173
local terms energy: -49.449550
where:
bonds (distance) C4'-P energy: -7.048
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -9.990
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: 10, replica: 2
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -91.392713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.392713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.392713 (E_RNA)
where:
Base-Base interactions energy: -36.205
where: short stacking energy: -25.956
Base-Backbone interact. energy: -0.008
local terms energy: -55.179947
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -9.533
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: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -215.251660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.251660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.251660 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.410
local terms energy: -78.065499
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -12.680
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: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -222.197317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.197317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.197317 (E_RNA)
where:
Base-Base interactions energy: -140.527
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.025
local terms energy: -81.645120
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -172.228493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.228493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.228493 (E_RNA)
where:
Base-Base interactions energy: -108.658
where: short stacking energy: -58.109
Base-Backbone interact. energy: -0.960
local terms energy: -62.610895
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -158.174409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.174409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.174409 (E_RNA)
where:
Base-Base interactions energy: -96.046
where: short stacking energy: -51.387
Base-Backbone interact. energy: -0.029
local terms energy: -62.098895
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -159.877864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.877864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.877864 (E_RNA)
where:
Base-Base interactions energy: -90.082
where: short stacking energy: -53.203
Base-Backbone interact. energy: -0.722
local terms energy: -69.073981
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -8.786
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: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -89.165697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.165697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.165697 (E_RNA)
where:
Base-Base interactions energy: -32.976
where: short stacking energy: -30.203
Base-Backbone interact. energy: -0.814
local terms energy: -55.375862
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -99.870543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.870543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.870543 (E_RNA)
where:
Base-Base interactions energy: -41.394
where: short stacking energy: -41.394
Base-Backbone interact. energy: -0.114
local terms energy: -58.362876
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -6.689
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: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -79.950368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.950368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.950368 (E_RNA)
where:
Base-Base interactions energy: -31.446
where: short stacking energy: -27.221
Base-Backbone interact. energy: -0.038
local terms energy: -48.466255
where:
bonds (distance) C4'-P energy: -6.610
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -3.048
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: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -89.002738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.002738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.002738 (E_RNA)
where:
Base-Base interactions energy: -38.727
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.091
local terms energy: -50.184720
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -2.096
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -72.318217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.318217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.318217 (E_RNA)
where:
Base-Base interactions energy: -25.443
where: short stacking energy: -20.990
Base-Backbone interact. energy: -0.142
local terms energy: -46.733999
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: 1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -219.228486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.228486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.228486 (E_RNA)
where:
Base-Base interactions energy: -138.934
where: short stacking energy: -73.707
Base-Backbone interact. energy: -0.614
local terms energy: -79.680915
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -213.749503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.749503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.749503 (E_RNA)
where:
Base-Base interactions energy: -137.637
where: short stacking energy: -70.734
Base-Backbone interact. energy: -0.357
local terms energy: -75.755179
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -177.104784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.104784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.104784 (E_RNA)
where:
Base-Base interactions energy: -99.570
where: short stacking energy: -56.090
Base-Backbone interact. energy: -0.209
local terms energy: -77.326250
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -169.443442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.443442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.443442 (E_RNA)
where:
Base-Base interactions energy: -102.161
where: short stacking energy: -52.621
Base-Backbone interact. energy: -0.270
local terms energy: -67.012904
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -163.580661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.580661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.580661 (E_RNA)
where:
Base-Base interactions energy: -98.722
where: short stacking energy: -52.375
Base-Backbone interact. energy: 0.815
local terms energy: -65.673983
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -11.196
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: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -86.385374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.385374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.385374 (E_RNA)
where:
Base-Base interactions energy: -31.264
where: short stacking energy: -31.264
Base-Backbone interact. energy: -0.131
local terms energy: -54.990243
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -6.234
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: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -103.990382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.990382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.990382 (E_RNA)
where:
Base-Base interactions energy: -45.385
where: short stacking energy: -43.952
Base-Backbone interact. energy: -0.683
local terms energy: -57.922486
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -94.148494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.148494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.148494 (E_RNA)
where:
Base-Base interactions energy: -39.109
where: short stacking energy: -29.928
Base-Backbone interact. energy: -0.060
local terms energy: -54.979300
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -6.931
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: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -76.029823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.029823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.029823 (E_RNA)
where:
Base-Base interactions energy: -24.569
where: short stacking energy: -21.245
Base-Backbone interact. energy: 0.511
local terms energy: -51.971473
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -79.399015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.399015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.399015 (E_RNA)
where:
Base-Base interactions energy: -24.898
where: short stacking energy: -24.898
Base-Backbone interact. energy: -0.280
local terms energy: -54.221145
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -9.699
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: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -220.720253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.720253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.720253 (E_RNA)
where:
Base-Base interactions energy: -143.139
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.328
local terms energy: -77.253126
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -10.182
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: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -209.531063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.531063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.531063 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -61.919
Base-Backbone interact. energy: -0.751
local terms energy: -76.285243
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -177.207655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.207655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.207655 (E_RNA)
where:
Base-Base interactions energy: -107.768
where: short stacking energy: -62.788
Base-Backbone interact. energy: -0.286
local terms energy: -69.153469
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -16.239
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: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -170.438744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.438744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.438744 (E_RNA)
where:
Base-Base interactions energy: -104.108
where: short stacking energy: -52.631
Base-Backbone interact. energy: -0.119
local terms energy: -66.211759
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -12.664
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: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -170.761936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.761936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.761936 (E_RNA)
where:
Base-Base interactions energy: -112.497
where: short stacking energy: -51.129
Base-Backbone interact. energy: -0.087
local terms energy: -58.178112
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -121.284498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.284498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.284498 (E_RNA)
where:
Base-Base interactions energy: -64.565
where: short stacking energy: -33.439
Base-Backbone interact. energy: -0.298
local terms energy: -56.421772
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -87.535763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.535763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.535763 (E_RNA)
where:
Base-Base interactions energy: -32.881
where: short stacking energy: -27.027
Base-Backbone interact. energy: 0.669
local terms energy: -55.323639
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -7.123
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: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -101.495370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.495370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.495370 (E_RNA)
where:
Base-Base interactions energy: -49.514
where: short stacking energy: -43.362
Base-Backbone interact. energy: -0.061
local terms energy: -51.919936
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -93.078831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.078831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.078831 (E_RNA)
where:
Base-Base interactions energy: -42.795
where: short stacking energy: -39.966
Base-Backbone interact. energy: -0.963
local terms energy: -49.320773
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -6.579
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -84.497328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.497328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.497328 (E_RNA)
where:
Base-Base interactions energy: -31.439
where: short stacking energy: -30.981
Base-Backbone interact. energy: -0.159
local terms energy: -52.899291
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -7.957
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -222.411767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.411767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.411767 (E_RNA)
where:
Base-Base interactions energy: -144.575
where: short stacking energy: -75.346
Base-Backbone interact. energy: -0.012
local terms energy: -77.824130
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -11.452
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: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -205.721686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.721686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.721686 (E_RNA)
where:
Base-Base interactions energy: -127.605
where: short stacking energy: -61.496
Base-Backbone interact. energy: -0.003
local terms energy: -78.113764
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -9.561
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: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -177.210629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.210629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.210629 (E_RNA)
where:
Base-Base interactions energy: -107.863
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.597
local terms energy: -68.751010
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -182.047022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.047022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.047022 (E_RNA)
where:
Base-Base interactions energy: -120.573
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.341
local terms energy: -61.132668
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -179.581354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.581354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.581354 (E_RNA)
where:
Base-Base interactions energy: -110.511
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.081
local terms energy: -68.989758
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -108.035081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.035081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.035081 (E_RNA)
where:
Base-Base interactions energy: -55.324
where: short stacking energy: -15.994
Base-Backbone interact. energy: -0.611
local terms energy: -52.100429
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -6.585
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: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -107.144549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.144549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.144549 (E_RNA)
where:
Base-Base interactions energy: -65.379
where: short stacking energy: -35.631
Base-Backbone interact. energy: -0.178
local terms energy: -41.587592
where:
bonds (distance) C4'-P energy: -2.433
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -94.833941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.833941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.833941 (E_RNA)
where:
Base-Base interactions energy: -42.121
where: short stacking energy: -31.993
Base-Backbone interact. energy: -0.136
local terms energy: -52.577091
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -87.083525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.083525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.083525 (E_RNA)
where:
Base-Base interactions energy: -35.327
where: short stacking energy: -21.413
Base-Backbone interact. energy: -0.122
local terms energy: -51.635006
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -73.692138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.692138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.692138 (E_RNA)
where:
Base-Base interactions energy: -20.466
where: short stacking energy: -20.466
Base-Backbone interact. energy: 0.245
local terms energy: -53.470826
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: 2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -225.968863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.968863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.968863 (E_RNA)
where:
Base-Base interactions energy: -143.471
where: short stacking energy: -74.638
Base-Backbone interact. energy: -0.485
local terms energy: -82.012327
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -213.730338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.730338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.730338 (E_RNA)
where:
Base-Base interactions energy: -132.770
where: short stacking energy: -70.672
Base-Backbone interact. energy: -0.306
local terms energy: -80.654336
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -14.042
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: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -172.351172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.351172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.351172 (E_RNA)
where:
Base-Base interactions energy: -104.606
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.241
local terms energy: -67.504338
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -13.662
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: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -176.194007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.194007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.194007 (E_RNA)
where:
Base-Base interactions energy: -112.979
where: short stacking energy: -59.445
Base-Backbone interact. energy: -0.102
local terms energy: -63.112460
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -155.677714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.677714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.677714 (E_RNA)
where:
Base-Base interactions energy: -93.484
where: short stacking energy: -45.963
Base-Backbone interact. energy: -0.926
local terms energy: -61.268576
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -108.767547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.767547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.767547 (E_RNA)
where:
Base-Base interactions energy: -48.170
where: short stacking energy: -38.256
Base-Backbone interact. energy: -0.047
local terms energy: -60.549861
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -109.445660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.445660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.445660 (E_RNA)
where:
Base-Base interactions energy: -58.367
where: short stacking energy: -45.515
Base-Backbone interact. energy: -0.080
local terms energy: -50.998353
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -93.037172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.037172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.037172 (E_RNA)
where:
Base-Base interactions energy: -37.707
where: short stacking energy: -29.311
Base-Backbone interact. energy: -0.144
local terms energy: -55.185495
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: 1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -94.600363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.600363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.600363 (E_RNA)
where:
Base-Base interactions energy: -43.950
where: short stacking energy: -25.258
Base-Backbone interact. energy: -0.910
local terms energy: -49.740826
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -1.390
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -86.888253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.888253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.888253 (E_RNA)
where:
Base-Base interactions energy: -33.145
where: short stacking energy: -33.145
Base-Backbone interact. energy: -0.005
local terms energy: -53.737995
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -6.580
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -216.940143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.940143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.940143 (E_RNA)
where:
Base-Base interactions energy: -133.868
where: short stacking energy: -71.749
Base-Backbone interact. energy: 0.015
local terms energy: -83.087075
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -213.271188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.271188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.271188 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -68.172
Base-Backbone interact. energy: -0.205
local terms energy: -73.845954
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -12.676
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: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -181.837643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.837643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.837643 (E_RNA)
where:
Base-Base interactions energy: -108.385
where: short stacking energy: -62.362
Base-Backbone interact. energy: -0.027
local terms energy: -73.424929
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -161.209750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.209750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.209750 (E_RNA)
where:
Base-Base interactions energy: -97.537
where: short stacking energy: -47.358
Base-Backbone interact. energy: -0.072
local terms energy: -63.600678
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -178.015061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.015061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.015061 (E_RNA)
where:
Base-Base interactions energy: -119.931
where: short stacking energy: -46.715
Base-Backbone interact. energy: -0.118
local terms energy: -57.966203
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -11.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -101.055474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.055474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.055474 (E_RNA)
where:
Base-Base interactions energy: -58.895
where: short stacking energy: -27.520
Base-Backbone interact. energy: -0.399
local terms energy: -41.761385
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: 3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -96.244537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.244537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.244537 (E_RNA)
where:
Base-Base interactions energy: -42.815
where: short stacking energy: -39.345
Base-Backbone interact. energy: 2.080
local terms energy: -55.510140
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -86.488666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.488666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.488666 (E_RNA)
where:
Base-Base interactions energy: -32.613
where: short stacking energy: -32.613
Base-Backbone interact. energy: -0.007
local terms energy: -53.868319
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -76.616096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.616096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.616096 (E_RNA)
where:
Base-Base interactions energy: -24.230
where: short stacking energy: -18.498
Base-Backbone interact. energy: -0.560
local terms energy: -51.826274
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -85.223642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.223642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.223642 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.236
local terms energy: -50.521100
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -11.573
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: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -217.734104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.734104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.734104 (E_RNA)
where:
Base-Base interactions energy: -139.132
where: short stacking energy: -71.827
Base-Backbone interact. energy: -0.035
local terms energy: -78.567216
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -21.806
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: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -196.448096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.448096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.448096 (E_RNA)
where:
Base-Base interactions energy: -125.611
where: short stacking energy: -70.978
Base-Backbone interact. energy: 1.196
local terms energy: -72.033043
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -16.507
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: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -193.329458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.329458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.329458 (E_RNA)
where:
Base-Base interactions energy: -115.461
where: short stacking energy: -60.896
Base-Backbone interact. energy: -1.373
local terms energy: -76.495433
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -177.989666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.989666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.989666 (E_RNA)
where:
Base-Base interactions energy: -116.428
where: short stacking energy: -53.009
Base-Backbone interact. energy: -1.305
local terms energy: -60.255973
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -159.535680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.535680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.535680 (E_RNA)
where:
Base-Base interactions energy: -95.998
where: short stacking energy: -50.744
Base-Backbone interact. energy: -0.301
local terms energy: -63.236928
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -9.146
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: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -110.019538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.019538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.019538 (E_RNA)
where:
Base-Base interactions energy: -56.658
where: short stacking energy: -38.581
Base-Backbone interact. energy: -0.146
local terms energy: -53.215037
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -10.093
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: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -110.541879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.541879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.541879 (E_RNA)
where:
Base-Base interactions energy: -55.300
where: short stacking energy: -35.060
Base-Backbone interact. energy: 0.189
local terms energy: -55.430530
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -86.912843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.912843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.912843 (E_RNA)
where:
Base-Base interactions energy: -35.911
where: short stacking energy: -31.708
Base-Backbone interact. energy: -0.042
local terms energy: -50.959935
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -83.571878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.571878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.571878 (E_RNA)
where:
Base-Base interactions energy: -39.697
where: short stacking energy: -37.831
Base-Backbone interact. energy: -0.248
local terms energy: -43.627152
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -92.674504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.674504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.674504 (E_RNA)
where:
Base-Base interactions energy: -40.768
where: short stacking energy: -37.891
Base-Backbone interact. energy: -0.039
local terms energy: -51.867838
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.164
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: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -213.109794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.109794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.109794 (E_RNA)
where:
Base-Base interactions energy: -137.827
where: short stacking energy: -66.725
Base-Backbone interact. energy: 0.387
local terms energy: -75.670279
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -12.205
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: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -192.851438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.851438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.851438 (E_RNA)
where:
Base-Base interactions energy: -126.913
where: short stacking energy: -68.271
Base-Backbone interact. energy: 0.226
local terms energy: -66.164081
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -187.167502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.167502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.167502 (E_RNA)
where:
Base-Base interactions energy: -113.612
where: short stacking energy: -57.423
Base-Backbone interact. energy: -1.313
local terms energy: -72.242414
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -174.224694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.224694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.224694 (E_RNA)
where:
Base-Base interactions energy: -112.745
where: short stacking energy: -63.563
Base-Backbone interact. energy: -0.409
local terms energy: -61.070237
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -153.976502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.976502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.976502 (E_RNA)
where:
Base-Base interactions energy: -86.933
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.090
local terms energy: -66.953537
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -14.343
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: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -84.829041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.829041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.829041 (E_RNA)
where:
Base-Base interactions energy: -35.596
where: short stacking energy: -33.683
Base-Backbone interact. energy: 0.634
local terms energy: -49.867071
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.187
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: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -97.906748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.906748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.906748 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -35.624
Base-Backbone interact. energy: -0.078
local terms energy: -62.204793
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -84.636396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636396 (E_RNA)
where:
Base-Base interactions energy: -37.721
where: short stacking energy: -32.655
Base-Backbone interact. energy: 0.444
local terms energy: -47.359551
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -8.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -91.382806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.382806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.382806 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -28.130
Base-Backbone interact. energy: -0.104
local terms energy: -55.873635
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -77.109417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.109417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.109417 (E_RNA)
where:
Base-Base interactions energy: -29.901
where: short stacking energy: -19.457
Base-Backbone interact. energy: 1.293
local terms energy: -48.501501
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -0.550
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: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -214.286640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.286640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.286640 (E_RNA)
where:
Base-Base interactions energy: -138.444
where: short stacking energy: -69.286
Base-Backbone interact. energy: -0.096
local terms energy: -75.746705
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.390
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: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -214.822536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.822536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.822536 (E_RNA)
where:
Base-Base interactions energy: -147.997
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.281
local terms energy: -66.544714
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -195.749735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.749735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.749735 (E_RNA)
where:
Base-Base interactions energy: -124.619
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.597
local terms energy: -70.533784
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -184.349549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.349549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.349549 (E_RNA)
where:
Base-Base interactions energy: -116.767
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.139
local terms energy: -67.443273
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -154.185772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.185772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.185772 (E_RNA)
where:
Base-Base interactions energy: -84.228
where: short stacking energy: -48.191
Base-Backbone interact. energy: -0.511
local terms energy: -69.446153
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -95.181458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.181458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.181458 (E_RNA)
where:
Base-Base interactions energy: -37.461
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.508
local terms energy: -57.212594
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -5.726
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: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -87.099783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.099783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.099783 (E_RNA)
where:
Base-Base interactions energy: -29.562
where: short stacking energy: -29.562
Base-Backbone interact. energy: -0.116
local terms energy: -57.421696
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -90.470234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.470234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.470234 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.091
local terms energy: -60.033194
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -86.844487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.844487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.844487 (E_RNA)
where:
Base-Base interactions energy: -43.477
where: short stacking energy: -37.649
Base-Backbone interact. energy: -0.036
local terms energy: -43.331274
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -1.521
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: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -70.563174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.563174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.563174 (E_RNA)
where:
Base-Base interactions energy: -32.013
where: short stacking energy: -19.866
Base-Backbone interact. energy: 2.209
local terms energy: -40.759079
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: 3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -216.286105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.286105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.286105 (E_RNA)
where:
Base-Base interactions energy: -136.993
where: short stacking energy: -71.343
Base-Backbone interact. energy: 0.757
local terms energy: -80.050202
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -218.144119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.144119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.144119 (E_RNA)
where:
Base-Base interactions energy: -143.789
where: short stacking energy: -73.864
Base-Backbone interact. energy: 1.141
local terms energy: -75.495285
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -20.429
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: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -209.604868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.604868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.604868 (E_RNA)
where:
Base-Base interactions energy: -135.121
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.176
local terms energy: -74.308051
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -179.850023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.850023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.850023 (E_RNA)
where:
Base-Base interactions energy: -113.561
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.008
local terms energy: -66.281000
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -8.539
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: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -147.565409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.565409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.565409 (E_RNA)
where:
Base-Base interactions energy: -89.239
where: short stacking energy: -38.848
Base-Backbone interact. energy: -0.305
local terms energy: -58.021073
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -90.149439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.149439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.149439 (E_RNA)
where:
Base-Base interactions energy: -36.123
where: short stacking energy: -36.123
Base-Backbone interact. energy: -1.447
local terms energy: -52.579449
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -82.309433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.309433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.309433 (E_RNA)
where:
Base-Base interactions energy: -30.650
where: short stacking energy: -30.650
Base-Backbone interact. energy: -0.064
local terms energy: -51.594598
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -94.042457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.042457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.042457 (E_RNA)
where:
Base-Base interactions energy: -53.367
where: short stacking energy: -26.811
Base-Backbone interact. energy: -0.519
local terms energy: -40.155966
where:
bonds (distance) C4'-P energy: -5.020
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -1.744
tors. eta vs tors. theta energy: -2.101
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: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -75.397250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.397250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.397250 (E_RNA)
where:
Base-Base interactions energy: -27.810
where: short stacking energy: -21.827
Base-Backbone interact. energy: -0.332
local terms energy: -47.255642
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -74.372605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.372605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.372605 (E_RNA)
where:
Base-Base interactions energy: -18.464
where: short stacking energy: -18.464
Base-Backbone interact. energy: 0.561
local terms energy: -56.469578
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -3.488
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: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -208.314124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.314124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.314124 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -67.623
Base-Backbone interact. energy: -0.000
local terms energy: -70.560924
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -209.375642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.375642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.375642 (E_RNA)
where:
Base-Base interactions energy: -130.837
where: short stacking energy: -63.911
Base-Backbone interact. energy: -0.000
local terms energy: -78.538648
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -205.676318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.676318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.676318 (E_RNA)
where:
Base-Base interactions energy: -132.813
where: short stacking energy: -68.834
Base-Backbone interact. energy: -0.020
local terms energy: -72.843432
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -159.761159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.761159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.761159 (E_RNA)
where:
Base-Base interactions energy: -90.076
where: short stacking energy: -47.965
Base-Backbone interact. energy: -0.631
local terms energy: -69.053825
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -8.619
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: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -149.623106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.623106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.623106 (E_RNA)
where:
Base-Base interactions energy: -100.856
where: short stacking energy: -46.656
Base-Backbone interact. energy: -0.175
local terms energy: -48.592010
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: 6.677
tors. eta vs tors. theta energy: -9.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -143.778147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.778147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.778147 (E_RNA)
where:
Base-Base interactions energy: -85.684
where: short stacking energy: -38.683
Base-Backbone interact. energy: -0.217
local terms energy: -57.877584
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -8.444
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: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -95.560478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.560478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.560478 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -34.377
Base-Backbone interact. energy: -0.037
local terms energy: -59.428991
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -10.505
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: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -100.080096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.080096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.080096 (E_RNA)
where:
Base-Base interactions energy: -41.457
where: short stacking energy: -41.457
Base-Backbone interact. energy: -0.051
local terms energy: -58.571739
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -8.314
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -100.158248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.158248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.158248 (E_RNA)
where:
Base-Base interactions energy: -51.469
where: short stacking energy: -27.659
Base-Backbone interact. energy: 0.566
local terms energy: -49.255146
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -72.795689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.795689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.795689 (E_RNA)
where:
Base-Base interactions energy: -21.921
where: short stacking energy: -21.921
Base-Backbone interact. energy: -0.133
local terms energy: -50.741770
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -210.317334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.317334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.317334 (E_RNA)
where:
Base-Base interactions energy: -135.185
where: short stacking energy: -70.714
Base-Backbone interact. energy: -0.002
local terms energy: -75.130190
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -197.123451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.123451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.123451 (E_RNA)
where:
Base-Base interactions energy: -129.002
where: short stacking energy: -58.392
Base-Backbone interact. energy: 0.679
local terms energy: -68.800528
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -187.447553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.447553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.447553 (E_RNA)
where:
Base-Base interactions energy: -114.073
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.416
local terms energy: -72.958717
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -157.992637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.992637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.992637 (E_RNA)
where:
Base-Base interactions energy: -101.554
where: short stacking energy: -50.525
Base-Backbone interact. energy: -0.097
local terms energy: -56.341181
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -8.113
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: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -167.781621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.781621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.781621 (E_RNA)
where:
Base-Base interactions energy: -99.783
where: short stacking energy: -53.208
Base-Backbone interact. energy: 0.041
local terms energy: -68.038927
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -13.657
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: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -145.954900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.954900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.954900 (E_RNA)
where:
Base-Base interactions energy: -88.396
where: short stacking energy: -44.474
Base-Backbone interact. energy: -0.173
local terms energy: -57.385481
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -6.154
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: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -83.602756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.602756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.602756 (E_RNA)
where:
Base-Base interactions energy: -27.214
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.020
local terms energy: -56.368868
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -12.536
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: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -90.042766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.042766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.042766 (E_RNA)
where:
Base-Base interactions energy: -30.178
where: short stacking energy: -30.178
Base-Backbone interact. energy: -0.074
local terms energy: -59.790122
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -7.665
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: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -73.106778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.106778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.106778 (E_RNA)
where:
Base-Base interactions energy: -23.302
where: short stacking energy: -18.013
Base-Backbone interact. energy: -0.404
local terms energy: -49.401035
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: 1.791
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: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -79.117903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.117903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.117903 (E_RNA)
where:
Base-Base interactions energy: -34.104
where: short stacking energy: -29.470
Base-Backbone interact. energy: -0.100
local terms energy: -44.913294
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -223.611589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.611589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.611589 (E_RNA)
where:
Base-Base interactions energy: -146.204
where: short stacking energy: -71.494
Base-Backbone interact. energy: 0.159
local terms energy: -77.566668
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -207.328209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.328209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.328209 (E_RNA)
where:
Base-Base interactions energy: -131.311
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.002
local terms energy: -76.015105
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -187.062183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.062183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.062183 (E_RNA)
where:
Base-Base interactions energy: -118.354
where: short stacking energy: -60.987
Base-Backbone interact. energy: -0.257
local terms energy: -68.451151
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -10.605
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: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -173.847533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.847533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.847533 (E_RNA)
where:
Base-Base interactions energy: -112.852
where: short stacking energy: -58.902
Base-Backbone interact. energy: -0.111
local terms energy: -60.885106
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -160.145816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.145816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.145816 (E_RNA)
where:
Base-Base interactions energy: -99.631
where: short stacking energy: -46.610
Base-Backbone interact. energy: -0.109
local terms energy: -60.405760
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -158.577123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.577123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.577123 (E_RNA)
where:
Base-Base interactions energy: -90.077
where: short stacking energy: -45.816
Base-Backbone interact. energy: 0.455
local terms energy: -68.955188
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -12.310
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: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -112.343337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.343337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.343337 (E_RNA)
where:
Base-Base interactions energy: -58.033
where: short stacking energy: -31.977
Base-Backbone interact. energy: -1.253
local terms energy: -53.057498
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -6.055
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -96.561055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.561055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.561055 (E_RNA)
where:
Base-Base interactions energy: -38.554
where: short stacking energy: -36.488
Base-Backbone interact. energy: -0.126
local terms energy: -57.881024
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -84.456766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.456766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.456766 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -28.520
Base-Backbone interact. energy: -0.490
local terms energy: -51.523377
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: 1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -68.358939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.358939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.358939 (E_RNA)
where:
Base-Base interactions energy: -24.219
where: short stacking energy: -21.977
Base-Backbone interact. energy: -0.160
local terms energy: -43.980326
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -0.430
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: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -212.130847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.130847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.130847 (E_RNA)
where:
Base-Base interactions energy: -134.004
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.004
local terms energy: -78.122316
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -21.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -202.721277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.721277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.721277 (E_RNA)
where:
Base-Base interactions energy: -122.293
where: short stacking energy: -62.143
Base-Backbone interact. energy: -1.171
local terms energy: -79.257003
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -181.207639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.207639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.207639 (E_RNA)
where:
Base-Base interactions energy: -119.483
where: short stacking energy: -51.434
Base-Backbone interact. energy: -0.261
local terms energy: -61.463408
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -167.149182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.149182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.149182 (E_RNA)
where:
Base-Base interactions energy: -97.689
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.003
local terms energy: -69.457262
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -169.753249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.753249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.753249 (E_RNA)
where:
Base-Base interactions energy: -103.066
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.205
local terms energy: -66.482437
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -146.045030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.045030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.045030 (E_RNA)
where:
Base-Base interactions energy: -80.515
where: short stacking energy: -46.951
Base-Backbone interact. energy: -0.005
local terms energy: -65.525397
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -144.753966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.753966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.753966 (E_RNA)
where:
Base-Base interactions energy: -83.297
where: short stacking energy: -37.317
Base-Backbone interact. energy: -0.482
local terms energy: -60.975008
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -6.794
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: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -92.221932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.221932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.221932 (E_RNA)
where:
Base-Base interactions energy: -42.345
where: short stacking energy: -41.802
Base-Backbone interact. energy: 0.698
local terms energy: -50.575660
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -83.706936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.706936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.706936 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -32.642
Base-Backbone interact. energy: 0.990
local terms energy: -45.351240
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -3.838
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: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -100.363738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.363738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.363738 (E_RNA)
where:
Base-Base interactions energy: -59.748
where: short stacking energy: -28.499
Base-Backbone interact. energy: -0.156
local terms energy: -40.460364
where:
bonds (distance) C4'-P energy: -7.068
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -211.535628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.535628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.535628 (E_RNA)
where:
Base-Base interactions energy: -132.707
where: short stacking energy: -73.375
Base-Backbone interact. energy: -0.041
local terms energy: -78.787741
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -22.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -197.249072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.249072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.249072 (E_RNA)
where:
Base-Base interactions energy: -125.348
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.005
local terms energy: -71.896294
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -191.263852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.263852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.263852 (E_RNA)
where:
Base-Base interactions energy: -119.009
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.207
local terms energy: -72.047142
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -171.959933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.959933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.959933 (E_RNA)
where:
Base-Base interactions energy: -99.699
where: short stacking energy: -56.674
Base-Backbone interact. energy: 0.884
local terms energy: -73.144729
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -162.312582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.312582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.312582 (E_RNA)
where:
Base-Base interactions energy: -102.527
where: short stacking energy: -51.247
Base-Backbone interact. energy: -0.089
local terms energy: -59.696488
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -12.644
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: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -174.441031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.441031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.441031 (E_RNA)
where:
Base-Base interactions energy: -102.218
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.614
local terms energy: -71.609040
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -128.797345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.797345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.797345 (E_RNA)
where:
Base-Base interactions energy: -79.971
where: short stacking energy: -35.436
Base-Backbone interact. energy: -0.147
local terms energy: -48.680200
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -84.635740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.635740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.635740 (E_RNA)
where:
Base-Base interactions energy: -38.863
where: short stacking energy: -37.169
Base-Backbone interact. energy: -0.031
local terms energy: -45.741937
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -83.767192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.767192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.767192 (E_RNA)
where:
Base-Base interactions energy: -23.939
where: short stacking energy: -23.939
Base-Backbone interact. energy: -0.641
local terms energy: -59.187151
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -80.854156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.854156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.854156 (E_RNA)
where:
Base-Base interactions energy: -32.343
where: short stacking energy: -32.343
Base-Backbone interact. energy: -0.159
local terms energy: -48.351653
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -196.241745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.241745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.241745 (E_RNA)
where:
Base-Base interactions energy: -115.522
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.174
local terms energy: -80.545910
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -203.438042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.438042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.438042 (E_RNA)
where:
Base-Base interactions energy: -130.885
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.247
local terms energy: -72.306434
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -11.020
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: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -196.047487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.047487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.047487 (E_RNA)
where:
Base-Base interactions energy: -121.714
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.986
local terms energy: -73.347797
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -167.651536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.651536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.651536 (E_RNA)
where:
Base-Base interactions energy: -95.837
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.040
local terms energy: -71.774923
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -170.847851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.847851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.847851 (E_RNA)
where:
Base-Base interactions energy: -110.258
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.070
local terms energy: -60.519738
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -9.083
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: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -161.751935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.751935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.751935 (E_RNA)
where:
Base-Base interactions energy: -99.596
where: short stacking energy: -52.938
Base-Backbone interact. energy: -0.006
local terms energy: -62.150238
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -82.679769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.679769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.679769 (E_RNA)
where:
Base-Base interactions energy: -32.013
where: short stacking energy: -18.944
Base-Backbone interact. energy: -0.519
local terms energy: -50.147617
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: 3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -85.756005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.756005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.756005 (E_RNA)
where:
Base-Base interactions energy: -32.845
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.278
local terms energy: -52.633350
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -89.252242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.252242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.252242 (E_RNA)
where:
Base-Base interactions energy: -33.360
where: short stacking energy: -33.360
Base-Backbone interact. energy: -1.158
local terms energy: -54.734604
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -69.111291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.111291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.111291 (E_RNA)
where:
Base-Base interactions energy: -19.817
where: short stacking energy: -18.217
Base-Backbone interact. energy: -0.231
local terms energy: -49.063028
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -8.835
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -192.168293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.168293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.168293 (E_RNA)
where:
Base-Base interactions energy: -112.734
where: short stacking energy: -69.507
Base-Backbone interact. energy: -0.611
local terms energy: -78.823507
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -9.196
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: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -192.082613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.082613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.082613 (E_RNA)
where:
Base-Base interactions energy: -127.203
where: short stacking energy: -51.425
Base-Backbone interact. energy: -1.340
local terms energy: -63.540506
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -202.050376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.050376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.050376 (E_RNA)
where:
Base-Base interactions energy: -137.495
where: short stacking energy: -62.680
Base-Backbone interact. energy: -0.286
local terms energy: -64.268887
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -180.009769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.009769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.009769 (E_RNA)
where:
Base-Base interactions energy: -108.702
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.369
local terms energy: -70.938925
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -153.230735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.230735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.230735 (E_RNA)
where:
Base-Base interactions energy: -98.403
where: short stacking energy: -49.433
Base-Backbone interact. energy: -0.481
local terms energy: -54.346029
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -6.638
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: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -170.468938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.468938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.468938 (E_RNA)
where:
Base-Base interactions energy: -106.085
where: short stacking energy: -55.138
Base-Backbone interact. energy: 0.661
local terms energy: -65.044735
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -116.961849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.961849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.961849 (E_RNA)
where:
Base-Base interactions energy: -66.864
where: short stacking energy: -45.379
Base-Backbone interact. energy: -0.213
local terms energy: -49.884027
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -9.022
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: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -90.056073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.056073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.056073 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -31.502
Base-Backbone interact. energy: -0.323
local terms energy: -56.161150
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -99.624450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.624450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.624450 (E_RNA)
where:
Base-Base interactions energy: -47.248
where: short stacking energy: -29.342
Base-Backbone interact. energy: -0.132
local terms energy: -52.244908
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -78.368695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.368695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.368695 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -31.418
Base-Backbone interact. energy: 0.396
local terms energy: -46.812796
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -5.472
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -204.757950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.757950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.757950 (E_RNA)
where:
Base-Base interactions energy: -135.371
where: short stacking energy: -55.820
Base-Backbone interact. energy: -0.232
local terms energy: -69.155461
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -191.470439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.470439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.470439 (E_RNA)
where:
Base-Base interactions energy: -114.740
where: short stacking energy: -65.860
Base-Backbone interact. energy: -0.005
local terms energy: -76.724944
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -18.769
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: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -212.039048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.039048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.039048 (E_RNA)
where:
Base-Base interactions energy: -133.807
where: short stacking energy: -65.605
Base-Backbone interact. energy: -0.076
local terms energy: -78.155668
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -173.847869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.847869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.847869 (E_RNA)
where:
Base-Base interactions energy: -104.287
where: short stacking energy: -55.317
Base-Backbone interact. energy: -0.008
local terms energy: -69.552777
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -161.400028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.400028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.400028 (E_RNA)
where:
Base-Base interactions energy: -107.446
where: short stacking energy: -50.974
Base-Backbone interact. energy: 0.092
local terms energy: -54.046389
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -5.011
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -146.131918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.131918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.131918 (E_RNA)
where:
Base-Base interactions energy: -87.872
where: short stacking energy: -48.613
Base-Backbone interact. energy: -1.751
local terms energy: -56.509856
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -10.015
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: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -109.016990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.016990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.016990 (E_RNA)
where:
Base-Base interactions energy: -49.866
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.106
local terms energy: -59.044270
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -85.224209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.224209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.224209 (E_RNA)
where:
Base-Base interactions energy: -45.539
where: short stacking energy: -22.317
Base-Backbone interact. energy: -0.454
local terms energy: -39.230537
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -96.741134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.741134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.741134 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -37.237
Base-Backbone interact. energy: -0.012
local terms energy: -59.492222
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -9.864
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: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -74.406607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.406607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.406607 (E_RNA)
where:
Base-Base interactions energy: -33.220
where: short stacking energy: -31.552
Base-Backbone interact. energy: -0.103
local terms energy: -41.083800
where:
bonds (distance) C4'-P energy: -1.924
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -8.135
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: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -212.882764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.882764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.882764 (E_RNA)
where:
Base-Base interactions energy: -137.234
where: short stacking energy: -61.111
Base-Backbone interact. energy: -2.556
local terms energy: -73.093468
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -17.274
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: 239
Temperature: 0.950000
Total energy: -213.728113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.728113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.728113 (E_RNA)
where:
Base-Base interactions energy: -138.541
where: short stacking energy: -57.298
Base-Backbone interact. energy: -0.022
local terms energy: -75.164888
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -11.805
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: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -181.299556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.299556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.299556 (E_RNA)
where:
Base-Base interactions energy: -109.533
where: short stacking energy: -62.849
Base-Backbone interact. energy: -1.702
local terms energy: -70.064137
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -158.947968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.947968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.947968 (E_RNA)
where:
Base-Base interactions energy: -87.855
where: short stacking energy: -45.690
Base-Backbone interact. energy: -0.156
local terms energy: -70.937631
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -162.961020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.961020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.961020 (E_RNA)
where:
Base-Base interactions energy: -93.742
where: short stacking energy: -47.224
Base-Backbone interact. energy: -0.007
local terms energy: -69.212030
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -150.164739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.164739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.164739 (E_RNA)
where:
Base-Base interactions energy: -91.170
where: short stacking energy: -48.259
Base-Backbone interact. energy: 0.125
local terms energy: -59.119285
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -6.708
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: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -113.576984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.576984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.576984 (E_RNA)
where:
Base-Base interactions energy: -71.252
where: short stacking energy: -35.367
Base-Backbone interact. energy: -0.491
local terms energy: -41.833764
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: 1.293
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: 239
Temperature: 1.250000
Total energy: -91.450729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.450729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.450729 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -28.407
Base-Backbone interact. energy: -0.045
local terms energy: -57.280083
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -101.850204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.850204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.850204 (E_RNA)
where:
Base-Base interactions energy: -51.551
where: short stacking energy: -34.783
Base-Backbone interact. energy: -0.303
local terms energy: -49.995851
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -77.209690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.209690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.209690 (E_RNA)
where:
Base-Base interactions energy: -30.399
where: short stacking energy: -29.813
Base-Backbone interact. energy: -0.233
local terms energy: -46.578002
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -5.287
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: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -214.949270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.949270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.949270 (E_RNA)
where:
Base-Base interactions energy: -136.073
where: short stacking energy: -75.598
Base-Backbone interact. energy: -0.103
local terms energy: -78.773512
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -203.588413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.588413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.588413 (E_RNA)
where:
Base-Base interactions energy: -129.086
where: short stacking energy: -50.495
Base-Backbone interact. energy: -1.211
local terms energy: -73.291442
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -198.324434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.324434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.324434 (E_RNA)
where:
Base-Base interactions energy: -128.468
where: short stacking energy: -66.347
Base-Backbone interact. energy: -0.116
local terms energy: -69.740417
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -176.905084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.905084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.905084 (E_RNA)
where:
Base-Base interactions energy: -103.318
where: short stacking energy: -51.793
Base-Backbone interact. energy: 0.053
local terms energy: -73.640315
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -157.943056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.943056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.943056 (E_RNA)
where:
Base-Base interactions energy: -90.406
where: short stacking energy: -50.138
Base-Backbone interact. energy: -0.445
local terms energy: -67.092235
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.422
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: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -149.393849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.393849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.393849 (E_RNA)
where:
Base-Base interactions energy: -93.685
where: short stacking energy: -52.891
Base-Backbone interact. energy: -0.176
local terms energy: -55.533317
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -8.768
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -136.719247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.719247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.719247 (E_RNA)
where:
Base-Base interactions energy: -80.068
where: short stacking energy: -42.836
Base-Backbone interact. energy: -0.709
local terms energy: -55.942727
where:
bonds (distance) C4'-P energy: -6.415
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -8.647
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: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -88.042400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.042400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.042400 (E_RNA)
where:
Base-Base interactions energy: -28.102
where: short stacking energy: -29.202
Base-Backbone interact. energy: -0.251
local terms energy: -59.689572
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -10.199
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: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -87.511503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.511503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.511503 (E_RNA)
where:
Base-Base interactions energy: -32.757
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.017
local terms energy: -54.736885
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -7.871
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -77.318612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.318612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.318612 (E_RNA)
where:
Base-Base interactions energy: -25.826
where: short stacking energy: -18.731
Base-Backbone interact. energy: -0.126
local terms energy: -51.366835
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -212.295088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.295088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.295088 (E_RNA)
where:
Base-Base interactions energy: -129.299
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.614
local terms energy: -82.382740
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -201.425837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.425837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.425837 (E_RNA)
where:
Base-Base interactions energy: -129.455
where: short stacking energy: -57.810
Base-Backbone interact. energy: -0.298
local terms energy: -71.673097
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -194.088769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.088769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.088769 (E_RNA)
where:
Base-Base interactions energy: -124.389
where: short stacking energy: -54.177
Base-Backbone interact. energy: -0.873
local terms energy: -68.826324
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -164.730800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.730800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.730800 (E_RNA)
where:
Base-Base interactions energy: -95.409
where: short stacking energy: -50.674
Base-Backbone interact. energy: -0.001
local terms energy: -69.320724
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -11.076
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: 241
Temperature: 1.100000
Total energy: -154.748515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.748515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.748515 (E_RNA)
where:
Base-Base interactions energy: -95.294
where: short stacking energy: -46.750
Base-Backbone interact. energy: -0.273
local terms energy: -59.181570
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -148.147602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.147602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.147602 (E_RNA)
where:
Base-Base interactions energy: -86.542
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.663
local terms energy: -60.943397
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -133.931223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.931223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.931223 (E_RNA)
where:
Base-Base interactions energy: -78.283
where: short stacking energy: -41.046
Base-Backbone interact. energy: -0.141
local terms energy: -55.506501
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -7.428
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: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -84.450968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.450968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.450968 (E_RNA)
where:
Base-Base interactions energy: -28.144
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.106
local terms energy: -56.200750
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -5.644
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: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -83.403776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.403776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.403776 (E_RNA)
where:
Base-Base interactions energy: -44.313
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.721
local terms energy: -38.369913
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -6.209
flat angles P-C4'-P energy: -8.530
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: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -82.539577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.539577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.539577 (E_RNA)
where:
Base-Base interactions energy: -30.659
where: short stacking energy: -23.687
Base-Backbone interact. energy: 0.836
local terms energy: -52.716716
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -5.370
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: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -207.712841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.712841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.712841 (E_RNA)
where:
Base-Base interactions energy: -135.424
where: short stacking energy: -73.047
Base-Backbone interact. energy: -0.012
local terms energy: -72.276001
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -204.573426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.573426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.573426 (E_RNA)
where:
Base-Base interactions energy: -134.231
where: short stacking energy: -62.361
Base-Backbone interact. energy: -0.064
local terms energy: -70.278042
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -200.109565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.109565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.109565 (E_RNA)
where:
Base-Base interactions energy: -137.765
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.146
local terms energy: -62.198705
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -9.124
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: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -175.794208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.794208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.794208 (E_RNA)
where:
Base-Base interactions energy: -103.831
where: short stacking energy: -56.033
Base-Backbone interact. energy: -0.463
local terms energy: -71.500370
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -136.480188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.480188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.480188 (E_RNA)
where:
Base-Base interactions energy: -76.293
where: short stacking energy: -47.991
Base-Backbone interact. energy: -0.103
local terms energy: -60.084727
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -126.039631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.039631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.039631 (E_RNA)
where:
Base-Base interactions energy: -70.341
where: short stacking energy: -37.747
Base-Backbone interact. energy: -0.113
local terms energy: -55.586408
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -7.563
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: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -124.151500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.151500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.151500 (E_RNA)
where:
Base-Base interactions energy: -66.199
where: short stacking energy: -39.242
Base-Backbone interact. energy: -0.547
local terms energy: -57.405638
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -9.621
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: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -86.074944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.074944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.074944 (E_RNA)
where:
Base-Base interactions energy: -34.983
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.320
local terms energy: -50.772318
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -2.566
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: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -73.909702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.909702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.909702 (E_RNA)
where:
Base-Base interactions energy: -24.525
where: short stacking energy: -19.527
Base-Backbone interact. energy: 1.455
local terms energy: -50.839440
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: 5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -79.149997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.149997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.149997 (E_RNA)
where:
Base-Base interactions energy: -29.020
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.155
local terms energy: -49.975074
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -2.263
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: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -218.632654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.632654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.632654 (E_RNA)
where:
Base-Base interactions energy: -140.982
where: short stacking energy: -67.947
Base-Backbone interact. energy: -1.323
local terms energy: -76.327169
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -12.214
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: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -210.534787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.534787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.534787 (E_RNA)
where:
Base-Base interactions energy: -134.835
where: short stacking energy: -60.946
Base-Backbone interact. energy: -0.298
local terms energy: -75.401953
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.090
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: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -197.371866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.371866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.371866 (E_RNA)
where:
Base-Base interactions energy: -120.313
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.022
local terms energy: -77.036819
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -9.253
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: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -160.094210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.094210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.094210 (E_RNA)
where:
Base-Base interactions energy: -93.652
where: short stacking energy: -53.313
Base-Backbone interact. energy: -0.192
local terms energy: -66.250224
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -8.913
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: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -179.242430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.242430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.242430 (E_RNA)
where:
Base-Base interactions energy: -111.929
where: short stacking energy: -56.347
Base-Backbone interact. energy: -0.429
local terms energy: -66.884053
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -11.407
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: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -102.822768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.822768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.822768 (E_RNA)
where:
Base-Base interactions energy: -40.567
where: short stacking energy: -26.777
Base-Backbone interact. energy: -1.204
local terms energy: -61.052403
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -95.320207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.320207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.320207 (E_RNA)
where:
Base-Base interactions energy: -43.089
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.464
local terms energy: -51.767195
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -90.516276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.516276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.516276 (E_RNA)
where:
Base-Base interactions energy: -44.655
where: short stacking energy: -35.773
Base-Backbone interact. energy: -0.144
local terms energy: -45.717919
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -6.378
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -78.800626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.800626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.800626 (E_RNA)
where:
Base-Base interactions energy: -32.853
where: short stacking energy: -20.019
Base-Backbone interact. energy: -0.344
local terms energy: -45.603675
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -3.313
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: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -89.730134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.730134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.730134 (E_RNA)
where:
Base-Base interactions energy: -37.811
where: short stacking energy: -28.834
Base-Backbone interact. energy: -0.096
local terms energy: -51.822879
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -210.060958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.060958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.060958 (E_RNA)
where:
Base-Base interactions energy: -133.851
where: short stacking energy: -61.559
Base-Backbone interact. energy: -0.263
local terms energy: -75.947034
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -8.490
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: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -200.686362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.686362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.686362 (E_RNA)
where:
Base-Base interactions energy: -127.694
where: short stacking energy: -60.751
Base-Backbone interact. energy: 0.034
local terms energy: -73.025912
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -208.603804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.603804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.603804 (E_RNA)
where:
Base-Base interactions energy: -135.215
where: short stacking energy: -56.202
Base-Backbone interact. energy: -0.970
local terms energy: -72.418682
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -165.007132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.007132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.007132 (E_RNA)
where:
Base-Base interactions energy: -104.043
where: short stacking energy: -52.315
Base-Backbone interact. energy: -0.152
local terms energy: -60.811485
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -8.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -148.833457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.833457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.833457 (E_RNA)
where:
Base-Base interactions energy: -84.595
where: short stacking energy: -48.753
Base-Backbone interact. energy: 1.256
local terms energy: -65.494693
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -10.223
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: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -104.792812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.792812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.792812 (E_RNA)
where:
Base-Base interactions energy: -52.388
where: short stacking energy: -38.049
Base-Backbone interact. energy: -0.309
local terms energy: -52.096185
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -96.146423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.146423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.146423 (E_RNA)
where:
Base-Base interactions energy: -40.487
where: short stacking energy: -33.823
Base-Backbone interact. energy: -0.207
local terms energy: -55.452123
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -6.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -85.112917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.112917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.112917 (E_RNA)
where:
Base-Base interactions energy: -36.201
where: short stacking energy: -26.634
Base-Backbone interact. energy: 1.819
local terms energy: -50.730906
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -72.887138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.887138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.887138 (E_RNA)
where:
Base-Base interactions energy: -27.077
where: short stacking energy: -18.827
Base-Backbone interact. energy: -0.210
local terms energy: -45.599412
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: 4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -76.804453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.804453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.804453 (E_RNA)
where:
Base-Base interactions energy: -27.997
where: short stacking energy: -27.997
Base-Backbone interact. energy: -0.116
local terms energy: -48.691506
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -215.439560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.439560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.439560 (E_RNA)
where:
Base-Base interactions energy: -147.131
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.255
local terms energy: -68.053434
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -211.738505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.738505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.738505 (E_RNA)
where:
Base-Base interactions energy: -136.490
where: short stacking energy: -73.698
Base-Backbone interact. energy: -1.206
local terms energy: -74.042297
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -208.664720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.664720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.664720 (E_RNA)
where:
Base-Base interactions energy: -141.743
where: short stacking energy: -67.656
Base-Backbone interact. energy: -0.616
local terms energy: -66.305322
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -10.755
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: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -167.425726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.425726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.425726 (E_RNA)
where:
Base-Base interactions energy: -107.372
where: short stacking energy: -54.631
Base-Backbone interact. energy: -0.092
local terms energy: -59.961882
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -149.897729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.897729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.897729 (E_RNA)
where:
Base-Base interactions energy: -85.258
where: short stacking energy: -48.013
Base-Backbone interact. energy: -0.028
local terms energy: -64.612425
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -96.927474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.927474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.927474 (E_RNA)
where:
Base-Base interactions energy: -42.168
where: short stacking energy: -40.447
Base-Backbone interact. energy: -0.944
local terms energy: -53.815816
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -91.171744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.171744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.171744 (E_RNA)
where:
Base-Base interactions energy: -41.765
where: short stacking energy: -27.012
Base-Backbone interact. energy: -0.352
local terms energy: -49.055017
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -2.492
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -91.149974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.149974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.149974 (E_RNA)
where:
Base-Base interactions energy: -37.212
where: short stacking energy: -25.787
Base-Backbone interact. energy: -0.132
local terms energy: -53.806367
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -11.635
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: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -87.236700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.236700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.236700 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -33.677
Base-Backbone interact. energy: -0.102
local terms energy: -52.256585
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -76.027153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.027153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.027153 (E_RNA)
where:
Base-Base interactions energy: -34.621
where: short stacking energy: -31.686
Base-Backbone interact. energy: 1.340
local terms energy: -42.745829
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -219.311677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.311677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.311677 (E_RNA)
where:
Base-Base interactions energy: -138.404
where: short stacking energy: -72.022
Base-Backbone interact. energy: -0.578
local terms energy: -80.329206
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -206.004168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.004168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.004168 (E_RNA)
where:
Base-Base interactions energy: -138.697
where: short stacking energy: -57.796
Base-Backbone interact. energy: -1.147
local terms energy: -66.160557
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -13.717
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: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -179.319445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.319445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.319445 (E_RNA)
where:
Base-Base interactions energy: -113.578
where: short stacking energy: -62.254
Base-Backbone interact. energy: -0.469
local terms energy: -65.272331
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -202.645872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645872 (E_RNA)
where:
Base-Base interactions energy: -132.036
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.003
local terms energy: -70.606401
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -20.494
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: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -142.286446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.286446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.286446 (E_RNA)
where:
Base-Base interactions energy: -80.350
where: short stacking energy: -35.817
Base-Backbone interact. energy: -0.163
local terms energy: -61.774115
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -106.633589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.633589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.633589 (E_RNA)
where:
Base-Base interactions energy: -55.709
where: short stacking energy: -34.009
Base-Backbone interact. energy: 0.085
local terms energy: -51.008909
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -121.311537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.311537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.311537 (E_RNA)
where:
Base-Base interactions energy: -69.314
where: short stacking energy: -35.013
Base-Backbone interact. energy: -0.635
local terms energy: -51.362513
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -83.081644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.081644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.081644 (E_RNA)
where:
Base-Base interactions energy: -40.454
where: short stacking energy: -40.454
Base-Backbone interact. energy: 1.426
local terms energy: -44.054281
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -77.526504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.526504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.526504 (E_RNA)
where:
Base-Base interactions energy: -20.108
where: short stacking energy: -20.108
Base-Backbone interact. energy: -0.173
local terms energy: -57.245784
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: 0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -74.070576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.070576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.070576 (E_RNA)
where:
Base-Base interactions energy: -30.182
where: short stacking energy: -23.745
Base-Backbone interact. energy: -0.309
local terms energy: -43.579498
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -207.791253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.791253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.791253 (E_RNA)
where:
Base-Base interactions energy: -127.936
where: short stacking energy: -65.758
Base-Backbone interact. energy: 0.166
local terms energy: -80.021024
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -208.280085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.280085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.280085 (E_RNA)
where:
Base-Base interactions energy: -137.542
where: short stacking energy: -66.216
Base-Backbone interact. energy: -0.009
local terms energy: -70.728583
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -14.628
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: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -189.461043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.461043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.461043 (E_RNA)
where:
Base-Base interactions energy: -117.027
where: short stacking energy: -66.005
Base-Backbone interact. energy: -0.133
local terms energy: -72.301288
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -200.598233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.598233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.598233 (E_RNA)
where:
Base-Base interactions energy: -127.538
where: short stacking energy: -68.497
Base-Backbone interact. energy: -0.001
local terms energy: -73.059988
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -136.106730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.106730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.106730 (E_RNA)
where:
Base-Base interactions energy: -80.104
where: short stacking energy: -40.563
Base-Backbone interact. energy: -1.109
local terms energy: -54.894017
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -5.755
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: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -151.188183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.188183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.188183 (E_RNA)
where:
Base-Base interactions energy: -99.853
where: short stacking energy: -45.567
Base-Backbone interact. energy: -0.215
local terms energy: -51.120842
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -9.068
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -9.441
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: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -86.142132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.142132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.142132 (E_RNA)
where:
Base-Base interactions energy: -34.905
where: short stacking energy: -31.079
Base-Backbone interact. energy: -0.036
local terms energy: -51.201354
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -90.568672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.568672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.568672 (E_RNA)
where:
Base-Base interactions energy: -42.025
where: short stacking energy: -34.646
Base-Backbone interact. energy: -0.128
local terms energy: -48.415120
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -5.289
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: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -82.825752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.825752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.825752 (E_RNA)
where:
Base-Base interactions energy: -32.819
where: short stacking energy: -15.786
Base-Backbone interact. energy: -0.964
local terms energy: -49.042907
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -11.319
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: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -81.158090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.158090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.158090 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.428
local terms energy: -50.539436
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: 1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -210.025367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.025367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.025367 (E_RNA)
where:
Base-Base interactions energy: -135.226
where: short stacking energy: -63.682
Base-Backbone interact. energy: -0.014
local terms energy: -74.785626
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -209.598834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.598834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.598834 (E_RNA)
where:
Base-Base interactions energy: -132.537
where: short stacking energy: -70.087
Base-Backbone interact. energy: -0.051
local terms energy: -77.011189
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -184.020811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.020811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.020811 (E_RNA)
where:
Base-Base interactions energy: -109.277
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.310
local terms energy: -74.433475
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -13.076
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: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -172.150779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.150779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.150779 (E_RNA)
where:
Base-Base interactions energy: -105.100
where: short stacking energy: -56.116
Base-Backbone interact. energy: -0.002
local terms energy: -67.049436
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -157.254587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.254587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.254587 (E_RNA)
where:
Base-Base interactions energy: -101.746
where: short stacking energy: -55.236
Base-Backbone interact. energy: 0.393
local terms energy: -55.901182
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -154.948086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.948086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.948086 (E_RNA)
where:
Base-Base interactions energy: -94.223
where: short stacking energy: -53.455
Base-Backbone interact. energy: 0.413
local terms energy: -61.138635
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -100.394918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.394918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.394918 (E_RNA)
where:
Base-Base interactions energy: -43.223
where: short stacking energy: -30.192
Base-Backbone interact. energy: -0.714
local terms energy: -56.457864
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -94.446191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.446191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.446191 (E_RNA)
where:
Base-Base interactions energy: -36.784
where: short stacking energy: -33.447
Base-Backbone interact. energy: -0.123
local terms energy: -57.539124
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -83.427928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.427928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.427928 (E_RNA)
where:
Base-Base interactions energy: -29.737
where: short stacking energy: -29.737
Base-Backbone interact. energy: -0.129
local terms energy: -53.561947
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -84.765009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765009 (E_RNA)
where:
Base-Base interactions energy: -40.037
where: short stacking energy: -22.667
Base-Backbone interact. energy: -0.448
local terms energy: -44.280631
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: 2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -206.374216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.374216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.374216 (E_RNA)
where:
Base-Base interactions energy: -133.706
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.275
local terms energy: -72.393193
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -208.984130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.984130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.984130 (E_RNA)
where:
Base-Base interactions energy: -132.377
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.091
local terms energy: -76.516351
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -20.031
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: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -201.554209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.554209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.554209 (E_RNA)
where:
Base-Base interactions energy: -129.061
where: short stacking energy: -73.323
Base-Backbone interact. energy: -0.079
local terms energy: -72.415023
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -23.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -171.044187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.044187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.044187 (E_RNA)
where:
Base-Base interactions energy: -104.077
where: short stacking energy: -48.488
Base-Backbone interact. energy: -0.066
local terms energy: -66.900913
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -12.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -149.378127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.378127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.378127 (E_RNA)
where:
Base-Base interactions energy: -95.786
where: short stacking energy: -54.643
Base-Backbone interact. energy: 0.919
local terms energy: -54.511432
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -2.566
tors. eta vs tors. theta energy: -9.741
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: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -151.855726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.855726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.855726 (E_RNA)
where:
Base-Base interactions energy: -98.674
where: short stacking energy: -63.119
Base-Backbone interact. energy: -0.020
local terms energy: -53.161088
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -14.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -93.772057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.772057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.772057 (E_RNA)
where:
Base-Base interactions energy: -42.883
where: short stacking energy: -37.963
Base-Backbone interact. energy: -0.090
local terms energy: -50.799326
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -88.030611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.030611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.030611 (E_RNA)
where:
Base-Base interactions energy: -30.012
where: short stacking energy: -29.938
Base-Backbone interact. energy: -0.082
local terms energy: -57.936317
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -3.633
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: 249
Temperature: 1.300000
Total energy: -79.832286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.832286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.832286 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -21.778
Base-Backbone interact. energy: -1.016
local terms energy: -43.159811
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: 2.752
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: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -70.104603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.104603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.104603 (E_RNA)
where:
Base-Base interactions energy: -36.457
where: short stacking energy: -22.087
Base-Backbone interact. energy: -1.883
local terms energy: -31.764842
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -2.160
tors. eta vs tors. theta energy: 1.933
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: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -202.625913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.625913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.625913 (E_RNA)
where:
Base-Base interactions energy: -137.774
where: short stacking energy: -60.715
Base-Backbone interact. energy: -1.267
local terms energy: -63.585054
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -204.129263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.129263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.129263 (E_RNA)
where:
Base-Base interactions energy: -137.247
where: short stacking energy: -65.464
Base-Backbone interact. energy: -0.968
local terms energy: -65.914820
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -170.682836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.682836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.682836 (E_RNA)
where:
Base-Base interactions energy: -108.200
where: short stacking energy: -65.089
Base-Backbone interact. energy: -0.194
local terms energy: -62.288815
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -195.072707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.072707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.072707 (E_RNA)
where:
Base-Base interactions energy: -122.302
where: short stacking energy: -67.544
Base-Backbone interact. energy: -0.607
local terms energy: -72.164599
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -137.530488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.530488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.530488 (E_RNA)
where:
Base-Base interactions energy: -99.183
where: short stacking energy: -42.560
Base-Backbone interact. energy: -0.216
local terms energy: -38.132135
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -7.456
flat angles P-C4'-P energy: -0.691
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -152.165028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.165028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.165028 (E_RNA)
where:
Base-Base interactions energy: -88.838
where: short stacking energy: -42.995
Base-Backbone interact. energy: 1.429
local terms energy: -64.756000
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -11.609
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: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -104.131584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.131584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.131584 (E_RNA)
where:
Base-Base interactions energy: -53.052
where: short stacking energy: -27.149
Base-Backbone interact. energy: -0.170
local terms energy: -50.909876
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -87.918484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.918484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.918484 (E_RNA)
where:
Base-Base interactions energy: -36.226
where: short stacking energy: -23.521
Base-Backbone interact. energy: -0.221
local terms energy: -51.470751
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -87.461068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.461068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.461068 (E_RNA)
where:
Base-Base interactions energy: -36.978
where: short stacking energy: -31.543
Base-Backbone interact. energy: -0.099
local terms energy: -50.384289
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -100.259982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.259982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.259982 (E_RNA)
where:
Base-Base interactions energy: -53.315
where: short stacking energy: -28.893
Base-Backbone interact. energy: -0.208
local terms energy: -46.736698
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -9.316
flat angles C4'-P-C4' energy: -7.593
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -211.741586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.741586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.741586 (E_RNA)
where:
Base-Base interactions energy: -135.556
where: short stacking energy: -61.767
Base-Backbone interact. energy: -0.580
local terms energy: -75.604691
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -201.311143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.311143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.311143 (E_RNA)
where:
Base-Base interactions energy: -131.862
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.128
local terms energy: -69.321503
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -15.108
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: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -174.750960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.750960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.750960 (E_RNA)
where:
Base-Base interactions energy: -104.341
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.037
local terms energy: -70.373299
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -197.413674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.413674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.413674 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.698
local terms energy: -64.436655
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -10.470
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: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -141.599934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.599934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.599934 (E_RNA)
where:
Base-Base interactions energy: -84.285
where: short stacking energy: -41.685
Base-Backbone interact. energy: -0.307
local terms energy: -57.008035
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.949
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: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -122.753881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.753881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.753881 (E_RNA)
where:
Base-Base interactions energy: -74.949
where: short stacking energy: -35.212
Base-Backbone interact. energy: 1.128
local terms energy: -48.932436
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -148.404302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.404302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.404302 (E_RNA)
where:
Base-Base interactions energy: -89.850
where: short stacking energy: -41.292
Base-Backbone interact. energy: -0.229
local terms energy: -58.324606
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -7.996
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: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -96.699263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.699263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.699263 (E_RNA)
where:
Base-Base interactions energy: -46.972
where: short stacking energy: -44.481
Base-Backbone interact. energy: -0.041
local terms energy: -49.685477
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -85.139052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.139052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.139052 (E_RNA)
where:
Base-Base interactions energy: -29.415
where: short stacking energy: -22.083
Base-Backbone interact. energy: -0.013
local terms energy: -55.711691
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -73.167383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.167383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.167383 (E_RNA)
where:
Base-Base interactions energy: -23.982
where: short stacking energy: -22.118
Base-Backbone interact. energy: -0.163
local terms energy: -49.022241
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: 1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -205.528700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.528700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.528700 (E_RNA)
where:
Base-Base interactions energy: -133.064
where: short stacking energy: -56.704
Base-Backbone interact. energy: -1.036
local terms energy: -71.429450
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -207.097606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.097606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.097606 (E_RNA)
where:
Base-Base interactions energy: -132.398
where: short stacking energy: -67.300
Base-Backbone interact. energy: -0.002
local terms energy: -74.697544
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -15.075
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: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -199.733185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.733185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.733185 (E_RNA)
where:
Base-Base interactions energy: -121.972
where: short stacking energy: -55.318
Base-Backbone interact. energy: -1.711
local terms energy: -76.049756
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -165.754564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.754564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.754564 (E_RNA)
where:
Base-Base interactions energy: -99.838
where: short stacking energy: -55.205
Base-Backbone interact. energy: -0.049
local terms energy: -65.867510
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -12.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -156.384400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.384400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.384400 (E_RNA)
where:
Base-Base interactions energy: -94.644
where: short stacking energy: -50.071
Base-Backbone interact. energy: -0.107
local terms energy: -61.632746
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -151.574031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.574031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.574031 (E_RNA)
where:
Base-Base interactions energy: -88.216
where: short stacking energy: -43.095
Base-Backbone interact. energy: -0.246
local terms energy: -63.111972
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -86.656992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.656992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.656992 (E_RNA)
where:
Base-Base interactions energy: -32.675
where: short stacking energy: -29.524
Base-Backbone interact. energy: -0.157
local terms energy: -53.825296
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -123.759787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.759787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.759787 (E_RNA)
where:
Base-Base interactions energy: -74.948
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.088
local terms energy: -48.724020
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -5.218
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -5.543
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: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -80.352879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.352879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.352879 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -31.483
Base-Backbone interact. energy: 3.724
local terms energy: -52.117996
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -7.044
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: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -91.235781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.235781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.235781 (E_RNA)
where:
Base-Base interactions energy: -42.759
where: short stacking energy: -21.754
Base-Backbone interact. energy: -0.367
local terms energy: -48.109904
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: 0.418
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: 253
Temperature: 0.900000
Total energy: -222.734767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.734767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.734767 (E_RNA)
where:
Base-Base interactions energy: -151.109
where: short stacking energy: -61.004
Base-Backbone interact. energy: -3.239
local terms energy: -68.386577
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -204.624505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.624505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.624505 (E_RNA)
where:
Base-Base interactions energy: -133.967
where: short stacking energy: -69.347
Base-Backbone interact. energy: 0.349
local terms energy: -71.006516
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -10.565
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: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -196.707809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.707809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.707809 (E_RNA)
where:
Base-Base interactions energy: -124.411
where: short stacking energy: -61.707
Base-Backbone interact. energy: 0.725
local terms energy: -73.022335
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -169.604781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.604781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.604781 (E_RNA)
where:
Base-Base interactions energy: -95.380
where: short stacking energy: -47.312
Base-Backbone interact. energy: -0.071
local terms energy: -74.154570
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -14.293
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: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -132.079347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.079347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.079347 (E_RNA)
where:
Base-Base interactions energy: -75.387
where: short stacking energy: -48.179
Base-Backbone interact. energy: -0.115
local terms energy: -56.577459
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -161.875803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.875803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.875803 (E_RNA)
where:
Base-Base interactions energy: -90.630
where: short stacking energy: -44.121
Base-Backbone interact. energy: -0.144
local terms energy: -71.101724
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -10.668
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: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -99.716218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.716218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.716218 (E_RNA)
where:
Base-Base interactions energy: -41.536
where: short stacking energy: -36.874
Base-Backbone interact. energy: 0.328
local terms energy: -58.507882
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -153.278825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.278825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.278825 (E_RNA)
where:
Base-Base interactions energy: -90.394
where: short stacking energy: -56.357
Base-Backbone interact. energy: -0.064
local terms energy: -62.821289
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -14.486
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: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -84.572731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.572731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.572731 (E_RNA)
where:
Base-Base interactions energy: -30.965
where: short stacking energy: -28.915
Base-Backbone interact. energy: -0.000
local terms energy: -53.607604
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -72.305546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.305546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.305546 (E_RNA)
where:
Base-Base interactions energy: -22.424
where: short stacking energy: -22.424
Base-Backbone interact. energy: -0.301
local terms energy: -49.581097
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: 2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -207.258050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.258050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.258050 (E_RNA)
where:
Base-Base interactions energy: -133.141
where: short stacking energy: -61.893
Base-Backbone interact. energy: -0.083
local terms energy: -74.034292
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -207.335753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.335753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.335753 (E_RNA)
where:
Base-Base interactions energy: -138.880
where: short stacking energy: -61.848
Base-Backbone interact. energy: -0.114
local terms energy: -68.341739
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -10.674
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: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -207.585887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.585887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.585887 (E_RNA)
where:
Base-Base interactions energy: -129.860
where: short stacking energy: -59.250
Base-Backbone interact. energy: -1.902
local terms energy: -75.823330
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -164.033147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.033147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.033147 (E_RNA)
where:
Base-Base interactions energy: -102.881
where: short stacking energy: -61.716
Base-Backbone interact. energy: -0.766
local terms energy: -60.386495
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -166.453520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.453520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.453520 (E_RNA)
where:
Base-Base interactions energy: -105.919
where: short stacking energy: -58.990
Base-Backbone interact. energy: -0.364
local terms energy: -60.170318
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -6.860
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: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -133.628703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.628703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.628703 (E_RNA)
where:
Base-Base interactions energy: -79.895
where: short stacking energy: -42.584
Base-Backbone interact. energy: -0.223
local terms energy: -53.510243
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -8.160
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: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -149.680944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.680944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.680944 (E_RNA)
where:
Base-Base interactions energy: -79.157
where: short stacking energy: -48.840
Base-Backbone interact. energy: -0.072
local terms energy: -70.452283
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -10.439
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: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -97.836127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.836127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.836127 (E_RNA)
where:
Base-Base interactions energy: -38.253
where: short stacking energy: -37.646
Base-Backbone interact. energy: -0.008
local terms energy: -59.575267
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -11.063
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -83.411684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.411684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.411684 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -27.090
Base-Backbone interact. energy: -0.013
local terms energy: -43.729689
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -82.336884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.336884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.336884 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -23.919
Base-Backbone interact. energy: -0.534
local terms energy: -49.458278
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -217.014655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.014655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.014655 (E_RNA)
where:
Base-Base interactions energy: -144.219
where: short stacking energy: -73.578
Base-Backbone interact. energy: -0.983
local terms energy: -71.813111
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -12.148
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: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -203.110817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.110817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.110817 (E_RNA)
where:
Base-Base interactions energy: -128.132
where: short stacking energy: -66.294
Base-Backbone interact. energy: -0.001
local terms energy: -74.977967
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -20.671
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: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -205.414592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.414592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.414592 (E_RNA)
where:
Base-Base interactions energy: -132.449
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.417
local terms energy: -72.548135
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -173.203757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.203757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.203757 (E_RNA)
where:
Base-Base interactions energy: -105.770
where: short stacking energy: -56.109
Base-Backbone interact. energy: -0.006
local terms energy: -67.427905
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -7.817
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: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -147.997004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.997004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.997004 (E_RNA)
where:
Base-Base interactions energy: -81.054
where: short stacking energy: -48.327
Base-Backbone interact. energy: -1.069
local terms energy: -65.873534
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -147.759304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.759304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.759304 (E_RNA)
where:
Base-Base interactions energy: -86.491
where: short stacking energy: -40.492
Base-Backbone interact. energy: -0.823
local terms energy: -60.445612
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -10.094
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: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -130.587309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.587309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.587309 (E_RNA)
where:
Base-Base interactions energy: -73.704
where: short stacking energy: -40.080
Base-Backbone interact. energy: -0.089
local terms energy: -56.794298
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -7.878
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: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -89.715421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.715421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.715421 (E_RNA)
where:
Base-Base interactions energy: -36.911
where: short stacking energy: -30.379
Base-Backbone interact. energy: -0.087
local terms energy: -52.717751
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -82.148581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.148581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.148581 (E_RNA)
where:
Base-Base interactions energy: -26.095
where: short stacking energy: -24.237
Base-Backbone interact. energy: -0.164
local terms energy: -55.889460
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -3.362
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: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -83.984064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.984064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.984064 (E_RNA)
where:
Base-Base interactions energy: -28.379
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.270
local terms energy: -55.335560
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -213.077193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.077193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.077193 (E_RNA)
where:
Base-Base interactions energy: -137.725
where: short stacking energy: -67.302
Base-Backbone interact. energy: -0.054
local terms energy: -75.298435
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -205.058842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.058842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.058842 (E_RNA)
where:
Base-Base interactions energy: -131.776
where: short stacking energy: -64.931
Base-Backbone interact. energy: 0.385
local terms energy: -73.668398
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -196.810347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.810347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.810347 (E_RNA)
where:
Base-Base interactions energy: -130.771
where: short stacking energy: -53.200
Base-Backbone interact. energy: -0.131
local terms energy: -65.908173
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -8.823
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: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -180.176356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.176356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.176356 (E_RNA)
where:
Base-Base interactions energy: -99.637
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.027
local terms energy: -80.511845
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -19.554
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: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -143.380966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.380966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.380966 (E_RNA)
where:
Base-Base interactions energy: -78.562
where: short stacking energy: -38.493
Base-Backbone interact. energy: -0.826
local terms energy: -63.993227
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -150.240486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.240486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.240486 (E_RNA)
where:
Base-Base interactions energy: -92.775
where: short stacking energy: -38.335
Base-Backbone interact. energy: -0.134
local terms energy: -57.331606
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -104.750858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.750858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.750858 (E_RNA)
where:
Base-Base interactions energy: -47.556
where: short stacking energy: -47.556
Base-Backbone interact. energy: -0.174
local terms energy: -57.020792
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -11.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -93.947528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.947528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.947528 (E_RNA)
where:
Base-Base interactions energy: -39.128
where: short stacking energy: -31.395
Base-Backbone interact. energy: -1.055
local terms energy: -53.764271
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -85.304924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.304924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.304924 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -31.461
Base-Backbone interact. energy: -0.027
local terms energy: -51.101127
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -70.885001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.885001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.885001 (E_RNA)
where:
Base-Base interactions energy: -17.557
where: short stacking energy: -15.476
Base-Backbone interact. energy: -0.438
local terms energy: -52.889840
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -212.069261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.069261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.069261 (E_RNA)
where:
Base-Base interactions energy: -132.206
where: short stacking energy: -72.412
Base-Backbone interact. energy: -0.025
local terms energy: -79.838212
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -206.084769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.084769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.084769 (E_RNA)
where:
Base-Base interactions energy: -129.288
where: short stacking energy: -61.620
Base-Backbone interact. energy: -0.042
local terms energy: -76.755228
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -191.654271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.654271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.654271 (E_RNA)
where:
Base-Base interactions energy: -122.966
where: short stacking energy: -50.712
Base-Backbone interact. energy: 0.006
local terms energy: -68.694809
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -9.260
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: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -184.539050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.539050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.539050 (E_RNA)
where:
Base-Base interactions energy: -116.956
where: short stacking energy: -58.854
Base-Backbone interact. energy: -0.263
local terms energy: -67.319774
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -159.280797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.280797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.280797 (E_RNA)
where:
Base-Base interactions energy: -97.609
where: short stacking energy: -48.755
Base-Backbone interact. energy: 0.645
local terms energy: -62.316951
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -151.400417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.400417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.400417 (E_RNA)
where:
Base-Base interactions energy: -98.448
where: short stacking energy: -47.599
Base-Backbone interact. energy: -0.065
local terms energy: -52.887191
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -95.566164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.566164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.566164 (E_RNA)
where:
Base-Base interactions energy: -39.981
where: short stacking energy: -39.981
Base-Backbone interact. energy: -0.211
local terms energy: -55.373886
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -84.317282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.317282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.317282 (E_RNA)
where:
Base-Base interactions energy: -33.480
where: short stacking energy: -33.480
Base-Backbone interact. energy: -0.205
local terms energy: -50.632959
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -87.053435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.053435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.053435 (E_RNA)
where:
Base-Base interactions energy: -33.789
where: short stacking energy: -33.789
Base-Backbone interact. energy: -0.618
local terms energy: -52.646848
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -77.997131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.997131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.997131 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -30.790
Base-Backbone interact. energy: -0.250
local terms energy: -46.762654
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -4.609
tors. eta vs tors. theta energy: -6.511
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: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -206.696574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.696574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.696574 (E_RNA)
where:
Base-Base interactions energy: -128.377
where: short stacking energy: -70.682
Base-Backbone interact. energy: -0.280
local terms energy: -78.039454
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.521
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: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -202.405824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.405824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.405824 (E_RNA)
where:
Base-Base interactions energy: -122.972
where: short stacking energy: -61.831
Base-Backbone interact. energy: -0.008
local terms energy: -79.425991
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -22.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -189.615603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.615603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.615603 (E_RNA)
where:
Base-Base interactions energy: -114.584
where: short stacking energy: -68.456
Base-Backbone interact. energy: -0.171
local terms energy: -74.861480
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -187.032059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.032059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.032059 (E_RNA)
where:
Base-Base interactions energy: -114.477
where: short stacking energy: -56.795
Base-Backbone interact. energy: -0.136
local terms energy: -72.419187
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -160.252676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.252676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.252676 (E_RNA)
where:
Base-Base interactions energy: -98.409
where: short stacking energy: -56.661
Base-Backbone interact. energy: -0.127
local terms energy: -61.716882
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -5.259
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: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -155.504067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.504067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.504067 (E_RNA)
where:
Base-Base interactions energy: -90.473
where: short stacking energy: -41.904
Base-Backbone interact. energy: -0.212
local terms energy: -64.819108
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.956
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: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -92.616417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.616417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.616417 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -34.236
Base-Backbone interact. energy: -0.884
local terms energy: -54.606775
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -96.212419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.212419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.212419 (E_RNA)
where:
Base-Base interactions energy: -39.664
where: short stacking energy: -39.664
Base-Backbone interact. energy: 0.271
local terms energy: -56.819905
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -8.198
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -78.280673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.280673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.280673 (E_RNA)
where:
Base-Base interactions energy: -24.212
where: short stacking energy: -21.451
Base-Backbone interact. energy: -0.135
local terms energy: -53.934159
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -5.240
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: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -74.572446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.572446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.572446 (E_RNA)
where:
Base-Base interactions energy: -35.281
where: short stacking energy: -33.020
Base-Backbone interact. energy: 2.095
local terms energy: -41.386370
where:
bonds (distance) C4'-P energy: -6.493
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -211.148133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.148133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.148133 (E_RNA)
where:
Base-Base interactions energy: -131.566
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.014
local terms energy: -79.567592
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -22.214
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: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -210.013608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.013608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.013608 (E_RNA)
where:
Base-Base interactions energy: -134.553
where: short stacking energy: -72.905
Base-Backbone interact. energy: -0.159
local terms energy: -75.301985
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -20.841
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: 259
Temperature: 1.000000
Total energy: -175.930982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.930982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.930982 (E_RNA)
where:
Base-Base interactions energy: -120.617
where: short stacking energy: -48.119
Base-Backbone interact. energy: -0.950
local terms energy: -54.363851
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -177.315301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.315301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.315301 (E_RNA)
where:
Base-Base interactions energy: -107.337
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.054
local terms energy: -69.924341
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -10.046
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: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -179.358588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.358588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.358588 (E_RNA)
where:
Base-Base interactions energy: -112.711
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.021
local terms energy: -66.626193
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -7.485
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: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -155.332498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.332498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.332498 (E_RNA)
where:
Base-Base interactions energy: -92.232
where: short stacking energy: -50.585
Base-Backbone interact. energy: -0.144
local terms energy: -62.956769
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -86.956889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.956889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.956889 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -31.820
Base-Backbone interact. energy: -0.276
local terms energy: -55.145930
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -10.289
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: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -82.349955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349955 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -30.097
Base-Backbone interact. energy: -1.425
local terms energy: -48.991947
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -78.617096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.617096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.617096 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -24.491
Base-Backbone interact. energy: -0.216
local terms energy: -46.336750
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -8.339
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -78.035253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.035253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.035253 (E_RNA)
where:
Base-Base interactions energy: -36.856
where: short stacking energy: -33.162
Base-Backbone interact. energy: -0.158
local terms energy: -41.021773
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -7.672
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -211.644926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.644926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.644926 (E_RNA)
where:
Base-Base interactions energy: -131.240
where: short stacking energy: -74.154
Base-Backbone interact. energy: -0.228
local terms energy: -80.177523
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -203.746540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.746540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.746540 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -62.350
Base-Backbone interact. energy: 5.644
local terms energy: -69.890063
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -152.727572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.727572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.727572 (E_RNA)
where:
Base-Base interactions energy: -92.518
where: short stacking energy: -48.512
Base-Backbone interact. energy: -0.225
local terms energy: -59.984484
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -178.484424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.484424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.484424 (E_RNA)
where:
Base-Base interactions energy: -114.160
where: short stacking energy: -58.641
Base-Backbone interact. energy: -0.997
local terms energy: -63.327206
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -167.003546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.003546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.003546 (E_RNA)
where:
Base-Base interactions energy: -104.070
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.133
local terms energy: -62.801071
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -154.315025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.315025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.315025 (E_RNA)
where:
Base-Base interactions energy: -97.404
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.112
local terms energy: -56.798200
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -91.810248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.810248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.810248 (E_RNA)
where:
Base-Base interactions energy: -42.279
where: short stacking energy: -39.781
Base-Backbone interact. energy: 0.873
local terms energy: -50.404725
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -84.200363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.200363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.200363 (E_RNA)
where:
Base-Base interactions energy: -31.866
where: short stacking energy: -28.072
Base-Backbone interact. energy: -0.258
local terms energy: -52.077065
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -82.496221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.496221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.496221 (E_RNA)
where:
Base-Base interactions energy: -28.813
where: short stacking energy: -28.813
Base-Backbone interact. energy: -0.016
local terms energy: -53.666677
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -87.768164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.768164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.768164 (E_RNA)
where:
Base-Base interactions energy: -50.700
where: short stacking energy: -34.506
Base-Backbone interact. energy: 0.037
local terms energy: -37.105389
where:
bonds (distance) C4'-P energy: -5.638
bonds (distance) P-C4' energy: -6.760
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -10.425
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: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -216.875110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.875110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.875110 (E_RNA)
where:
Base-Base interactions energy: -136.814
where: short stacking energy: -68.723
Base-Backbone interact. energy: -0.008
local terms energy: -80.052466
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -204.819651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.819651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.819651 (E_RNA)
where:
Base-Base interactions energy: -128.675
where: short stacking energy: -68.411
Base-Backbone interact. energy: -0.059
local terms energy: -76.085858
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -153.284602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.284602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.284602 (E_RNA)
where:
Base-Base interactions energy: -82.681
where: short stacking energy: -50.658
Base-Backbone interact. energy: -0.012
local terms energy: -70.592183
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -179.542454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.542454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.542454 (E_RNA)
where:
Base-Base interactions energy: -110.037
where: short stacking energy: -66.247
Base-Backbone interact. energy: -0.147
local terms energy: -69.357763
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -154.412724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.412724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.412724 (E_RNA)
where:
Base-Base interactions energy: -92.327
where: short stacking energy: -58.634
Base-Backbone interact. energy: -0.057
local terms energy: -62.028656
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -161.080633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.080633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.080633 (E_RNA)
where:
Base-Base interactions energy: -98.891
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.197
local terms energy: -61.992858
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -11.276
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: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -94.600894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.600894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.600894 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -32.995
Base-Backbone interact. energy: -0.175
local terms energy: -58.902640
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -98.345687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.345687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.345687 (E_RNA)
where:
Base-Base interactions energy: -45.979
where: short stacking energy: -41.202
Base-Backbone interact. energy: -0.416
local terms energy: -51.950123
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.290
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: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -79.729473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.729473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.729473 (E_RNA)
where:
Base-Base interactions energy: -23.150
where: short stacking energy: -22.047
Base-Backbone interact. energy: -0.460
local terms energy: -56.119910
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -11.595
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: 10, replica: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -86.500621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.500621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.500621 (E_RNA)
where:
Base-Base interactions energy: -33.640
where: short stacking energy: -32.103
Base-Backbone interact. energy: -0.129
local terms energy: -52.731587
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -11.242
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: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -214.629125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.629125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.629125 (E_RNA)
where:
Base-Base interactions energy: -136.642
where: short stacking energy: -72.857
Base-Backbone interact. energy: -0.574
local terms energy: -77.413521
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -11.365
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: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -207.398397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.398397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.398397 (E_RNA)
where:
Base-Base interactions energy: -141.235
where: short stacking energy: -60.453
Base-Backbone interact. energy: 3.197
local terms energy: -69.360677
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -8.599
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: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -178.080612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.080612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.080612 (E_RNA)
where:
Base-Base interactions energy: -115.302
where: short stacking energy: -61.817
Base-Backbone interact. energy: -0.218
local terms energy: -62.560952
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -7.934
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -165.259602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.259602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.259602 (E_RNA)
where:
Base-Base interactions energy: -105.527
where: short stacking energy: -58.346
Base-Backbone interact. energy: -0.028
local terms energy: -59.704275
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -138.992301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.992301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.992301 (E_RNA)
where:
Base-Base interactions energy: -83.478
where: short stacking energy: -45.027
Base-Backbone interact. energy: -0.064
local terms energy: -55.450221
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -6.675
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: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -158.577554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.577554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.577554 (E_RNA)
where:
Base-Base interactions energy: -99.282
where: short stacking energy: -49.119
Base-Backbone interact. energy: -0.629
local terms energy: -58.666616
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -9.112
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: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -96.739128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.739128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.739128 (E_RNA)
where:
Base-Base interactions energy: -38.250
where: short stacking energy: -33.512
Base-Backbone interact. energy: -0.093
local terms energy: -58.396497
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -78.112691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.112691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.112691 (E_RNA)
where:
Base-Base interactions energy: -28.001
where: short stacking energy: -18.452
Base-Backbone interact. energy: -0.200
local terms energy: -49.911943
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -84.639646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.639646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.639646 (E_RNA)
where:
Base-Base interactions energy: -33.405
where: short stacking energy: -29.759
Base-Backbone interact. energy: -0.011
local terms energy: -51.223552
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -85.740514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.740514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.740514 (E_RNA)
where:
Base-Base interactions energy: -28.373
where: short stacking energy: -28.069
Base-Backbone interact. energy: -0.206
local terms energy: -57.162358
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -6.297
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: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -208.832683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.832683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.832683 (E_RNA)
where:
Base-Base interactions energy: -131.351
where: short stacking energy: -71.242
Base-Backbone interact. energy: -0.455
local terms energy: -77.026868
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -213.149603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.149603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.149603 (E_RNA)
where:
Base-Base interactions energy: -138.932
where: short stacking energy: -63.099
Base-Backbone interact. energy: -2.172
local terms energy: -72.045618
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -167.778685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.778685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.778685 (E_RNA)
where:
Base-Base interactions energy: -99.322
where: short stacking energy: -50.541
Base-Backbone interact. energy: -0.245
local terms energy: -68.212195
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -169.022988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.022988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.022988 (E_RNA)
where:
Base-Base interactions energy: -105.708
where: short stacking energy: -57.463
Base-Backbone interact. energy: -0.470
local terms energy: -62.845156
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -11.714
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: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -163.156689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.156689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.156689 (E_RNA)
where:
Base-Base interactions energy: -97.316
where: short stacking energy: -45.304
Base-Backbone interact. energy: -1.447
local terms energy: -64.393106
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -92.326225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.326225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.326225 (E_RNA)
where:
Base-Base interactions energy: -36.921
where: short stacking energy: -36.921
Base-Backbone interact. energy: -0.251
local terms energy: -55.153995
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -166.889636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.889636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.889636 (E_RNA)
where:
Base-Base interactions energy: -108.493
where: short stacking energy: -57.192
Base-Backbone interact. energy: -0.015
local terms energy: -58.381942
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -87.435357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.435357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.435357 (E_RNA)
where:
Base-Base interactions energy: -29.948
where: short stacking energy: -23.593
Base-Backbone interact. energy: -1.385
local terms energy: -56.102115
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -10.798
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: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -83.597833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.597833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.597833 (E_RNA)
where:
Base-Base interactions energy: -37.435
where: short stacking energy: -31.160
Base-Backbone interact. energy: -0.086
local terms energy: -46.076643
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -8.311
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: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -78.519049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.519049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.519049 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -33.092
Base-Backbone interact. energy: -0.025
local terms energy: -41.633068
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -212.745191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.745191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.745191 (E_RNA)
where:
Base-Base interactions energy: -128.957
where: short stacking energy: -59.909
Base-Backbone interact. energy: -1.666
local terms energy: -82.121995
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -194.858601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.858601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.858601 (E_RNA)
where:
Base-Base interactions energy: -119.919
where: short stacking energy: -60.446
Base-Backbone interact. energy: -0.468
local terms energy: -74.471541
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -12.253
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: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -168.390099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.390099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.390099 (E_RNA)
where:
Base-Base interactions energy: -104.964
where: short stacking energy: -44.055
Base-Backbone interact. energy: -0.815
local terms energy: -62.610451
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.564
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: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -157.720795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.720795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.720795 (E_RNA)
where:
Base-Base interactions energy: -92.096
where: short stacking energy: -58.325
Base-Backbone interact. energy: -0.047
local terms energy: -65.577682
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -154.465311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.465311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.465311 (E_RNA)
where:
Base-Base interactions energy: -99.647
where: short stacking energy: -52.938
Base-Backbone interact. energy: -0.172
local terms energy: -54.646419
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -1.530
tors. eta vs tors. theta energy: -8.544
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: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -100.053897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.053897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.053897 (E_RNA)
where:
Base-Base interactions energy: -39.575
where: short stacking energy: -39.575
Base-Backbone interact. energy: -0.728
local terms energy: -59.751019
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -140.607182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.607182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.607182 (E_RNA)
where:
Base-Base interactions energy: -80.548
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.632
local terms energy: -59.427597
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -11.194
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: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -82.377237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377237 (E_RNA)
where:
Base-Base interactions energy: -35.950
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.221
local terms energy: -46.205808
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -87.606155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.606155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.606155 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -26.942
Base-Backbone interact. energy: -0.206
local terms energy: -52.238784
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -88.230459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.230459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.230459 (E_RNA)
where:
Base-Base interactions energy: -35.187
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.005
local terms energy: -53.038672
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -211.456814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.456814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.456814 (E_RNA)
where:
Base-Base interactions energy: -128.878
where: short stacking energy: -67.602
Base-Backbone interact. energy: -1.160
local terms energy: -81.418982
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -205.660110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.660110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.660110 (E_RNA)
where:
Base-Base interactions energy: -130.042
where: short stacking energy: -65.205
Base-Backbone interact. energy: -0.175
local terms energy: -75.443088
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -166.942135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.942135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.942135 (E_RNA)
where:
Base-Base interactions energy: -103.924
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.175
local terms energy: -62.843333
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -155.783291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.783291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.783291 (E_RNA)
where:
Base-Base interactions energy: -92.398
where: short stacking energy: -52.632
Base-Backbone interact. energy: -0.084
local terms energy: -63.300864
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -167.541341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.541341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.541341 (E_RNA)
where:
Base-Base interactions energy: -101.311
where: short stacking energy: -51.417
Base-Backbone interact. energy: -0.103
local terms energy: -66.127587
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -6.101
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -86.939960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.939960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.939960 (E_RNA)
where:
Base-Base interactions energy: -31.699
where: short stacking energy: -31.699
Base-Backbone interact. energy: -0.135
local terms energy: -55.105249
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -9.335
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -101.617481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.617481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.617481 (E_RNA)
where:
Base-Base interactions energy: -47.535
where: short stacking energy: -30.350
Base-Backbone interact. energy: 0.152
local terms energy: -54.233972
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -3.485
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -84.181409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.181409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.181409 (E_RNA)
where:
Base-Base interactions energy: -33.854
where: short stacking energy: -26.700
Base-Backbone interact. energy: -0.875
local terms energy: -49.453068
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -10.638
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: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -92.565389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.565389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.565389 (E_RNA)
where:
Base-Base interactions energy: -37.956
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.012
local terms energy: -54.597659
where:
bonds (distance) C4'-P energy: -6.882
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -87.791771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.791771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.791771 (E_RNA)
where:
Base-Base interactions energy: -40.837
where: short stacking energy: -40.749
Base-Backbone interact. energy: -0.056
local terms energy: -46.899554
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -9.019
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: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -213.625268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.625268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.625268 (E_RNA)
where:
Base-Base interactions energy: -136.680
where: short stacking energy: -76.629
Base-Backbone interact. energy: -0.535
local terms energy: -76.410817
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -213.346062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.346062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.346062 (E_RNA)
where:
Base-Base interactions energy: -137.064
where: short stacking energy: -70.918
Base-Backbone interact. energy: -0.014
local terms energy: -76.267447
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -18.676
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: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -177.098474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.098474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.098474 (E_RNA)
where:
Base-Base interactions energy: -113.433
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.137
local terms energy: -63.528501
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -166.105170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.105170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.105170 (E_RNA)
where:
Base-Base interactions energy: -106.067
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.000
local terms energy: -60.037818
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -166.751341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.751341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.751341 (E_RNA)
where:
Base-Base interactions energy: -100.908
where: short stacking energy: -49.868
Base-Backbone interact. energy: -0.113
local terms energy: -65.729764
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -95.061669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.061669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.061669 (E_RNA)
where:
Base-Base interactions energy: -38.891
where: short stacking energy: -38.891
Base-Backbone interact. energy: -0.001
local terms energy: -56.169908
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -13.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -95.653098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.653098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.653098 (E_RNA)
where:
Base-Base interactions energy: -40.954
where: short stacking energy: -31.432
Base-Backbone interact. energy: -0.468
local terms energy: -54.230884
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: 0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -83.237490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.237490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.237490 (E_RNA)
where:
Base-Base interactions energy: -30.225
where: short stacking energy: -25.023
Base-Backbone interact. energy: -0.349
local terms energy: -52.663754
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -86.954612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.954612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.954612 (E_RNA)
where:
Base-Base interactions energy: -38.073
where: short stacking energy: -32.775
Base-Backbone interact. energy: -0.244
local terms energy: -48.636897
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -6.175
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: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -71.074694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.074694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.074694 (E_RNA)
where:
Base-Base interactions energy: -25.557
where: short stacking energy: -18.694
Base-Backbone interact. energy: -0.395
local terms energy: -45.122529
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -7.245
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -217.937640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.937640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.937640 (E_RNA)
where:
Base-Base interactions energy: -134.579
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.021
local terms energy: -83.337696
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -23.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -208.964234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.964234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.964234 (E_RNA)
where:
Base-Base interactions energy: -134.899
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.041
local terms energy: -74.023597
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -177.251100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.251100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.251100 (E_RNA)
where:
Base-Base interactions energy: -107.536
where: short stacking energy: -61.502
Base-Backbone interact. energy: -0.125
local terms energy: -69.590511
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -175.296415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.296415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.296415 (E_RNA)
where:
Base-Base interactions energy: -106.788
where: short stacking energy: -49.678
Base-Backbone interact. energy: -0.081
local terms energy: -68.428040
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.229
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: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -146.020866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.020866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.020866 (E_RNA)
where:
Base-Base interactions energy: -77.177
where: short stacking energy: -58.501
Base-Backbone interact. energy: -0.098
local terms energy: -68.746049
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -14.939
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: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -95.348013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.348013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.348013 (E_RNA)
where:
Base-Base interactions energy: -40.463
where: short stacking energy: -37.617
Base-Backbone interact. energy: 1.295
local terms energy: -56.179396
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -99.926903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.926903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.926903 (E_RNA)
where:
Base-Base interactions energy: -42.327
where: short stacking energy: -38.468
Base-Backbone interact. energy: -0.042
local terms energy: -57.558177
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -8.970
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: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -98.196583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.196583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.196583 (E_RNA)
where:
Base-Base interactions energy: -41.469
where: short stacking energy: -41.469
Base-Backbone interact. energy: -0.250
local terms energy: -56.477272
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -86.261838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.261838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.261838 (E_RNA)
where:
Base-Base interactions energy: -29.989
where: short stacking energy: -23.172
Base-Backbone interact. energy: 1.624
local terms energy: -57.897491
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -77.230424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.230424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.230424 (E_RNA)
where:
Base-Base interactions energy: -31.783
where: short stacking energy: -19.138
Base-Backbone interact. energy: -0.309
local terms energy: -45.139174
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: 4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -215.901290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.901290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.901290 (E_RNA)
where:
Base-Base interactions energy: -139.588
where: short stacking energy: -66.943
Base-Backbone interact. energy: -0.046
local terms energy: -76.267134
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -199.385400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.385400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.385400 (E_RNA)
where:
Base-Base interactions energy: -119.528
where: short stacking energy: -71.895
Base-Backbone interact. energy: -1.154
local terms energy: -78.703710
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -178.625071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.625071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.625071 (E_RNA)
where:
Base-Base interactions energy: -110.371
where: short stacking energy: -62.711
Base-Backbone interact. energy: -0.069
local terms energy: -68.184714
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -163.521412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.521412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.521412 (E_RNA)
where:
Base-Base interactions energy: -101.640
where: short stacking energy: -55.024
Base-Backbone interact. energy: 1.005
local terms energy: -62.886435
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -150.889323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.889323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.889323 (E_RNA)
where:
Base-Base interactions energy: -85.034
where: short stacking energy: -42.992
Base-Backbone interact. energy: 1.576
local terms energy: -67.431772
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -91.795240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.795240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.795240 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -31.706
Base-Backbone interact. energy: 2.774
local terms energy: -57.910614
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -10.216
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: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -96.722176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.722176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.722176 (E_RNA)
where:
Base-Base interactions energy: -44.235
where: short stacking energy: -41.458
Base-Backbone interact. energy: -0.198
local terms energy: -52.288895
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -7.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -83.744808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.744808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.744808 (E_RNA)
where:
Base-Base interactions energy: -34.325
where: short stacking energy: -33.828
Base-Backbone interact. energy: -0.102
local terms energy: -49.318249
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -83.945548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.945548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.945548 (E_RNA)
where:
Base-Base interactions energy: -38.313
where: short stacking energy: -25.718
Base-Backbone interact. energy: -0.371
local terms energy: -45.261705
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: 3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -80.952104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.952104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.952104 (E_RNA)
where:
Base-Base interactions energy: -25.981
where: short stacking energy: -20.563
Base-Backbone interact. energy: -0.269
local terms energy: -54.701685
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -218.424843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.424843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.424843 (E_RNA)
where:
Base-Base interactions energy: -145.518
where: short stacking energy: -64.597
Base-Backbone interact. energy: -0.524
local terms energy: -72.382835
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -191.581454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.581454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.581454 (E_RNA)
where:
Base-Base interactions energy: -118.533
where: short stacking energy: -72.144
Base-Backbone interact. energy: -0.038
local terms energy: -73.010543
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -188.478550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.478550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.478550 (E_RNA)
where:
Base-Base interactions energy: -122.341
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.223
local terms energy: -65.914319
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -154.869250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.869250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.869250 (E_RNA)
where:
Base-Base interactions energy: -98.372
where: short stacking energy: -42.656
Base-Backbone interact. energy: 1.379
local terms energy: -57.876535
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -126.779191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.779191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.779191 (E_RNA)
where:
Base-Base interactions energy: -62.895
where: short stacking energy: -41.839
Base-Backbone interact. energy: -0.101
local terms energy: -63.783907
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -12.516
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: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -96.914989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.914989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.914989 (E_RNA)
where:
Base-Base interactions energy: -43.035
where: short stacking energy: -36.491
Base-Backbone interact. energy: 0.689
local terms energy: -54.569515
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -89.272565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.272565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.272565 (E_RNA)
where:
Base-Base interactions energy: -32.991
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.081
local terms energy: -56.201012
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -84.278289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.278289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.278289 (E_RNA)
where:
Base-Base interactions energy: -37.128
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.083
local terms energy: -47.067399
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -86.134359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.134359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.134359 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -30.130
Base-Backbone interact. energy: -0.268
local terms energy: -50.933421
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -79.522515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.522515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.522515 (E_RNA)
where:
Base-Base interactions energy: -40.290
where: short stacking energy: -27.060
Base-Backbone interact. energy: -0.512
local terms energy: -38.720414
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -2.336
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: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -212.980521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.980521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.980521 (E_RNA)
where:
Base-Base interactions energy: -137.167
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.104
local terms energy: -75.708970
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -177.192090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.192090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.192090 (E_RNA)
where:
Base-Base interactions energy: -100.770
where: short stacking energy: -56.395
Base-Backbone interact. energy: -1.796
local terms energy: -74.626228
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -178.048458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.048458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.048458 (E_RNA)
where:
Base-Base interactions energy: -104.939
where: short stacking energy: -58.449
Base-Backbone interact. energy: -0.089
local terms energy: -73.020805
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -9.116
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: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -192.305682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.305682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.305682 (E_RNA)
where:
Base-Base interactions energy: -120.046
where: short stacking energy: -66.559
Base-Backbone interact. energy: -0.165
local terms energy: -72.094518
where:
bonds (distance) C4'-P energy: -9.962
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -18.866
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: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -98.172079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.172079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.172079 (E_RNA)
where:
Base-Base interactions energy: -42.404
where: short stacking energy: -40.633
Base-Backbone interact. energy: -0.069
local terms energy: -55.698255
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -5.187
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: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -96.543819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.543819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.543819 (E_RNA)
where:
Base-Base interactions energy: -37.853
where: short stacking energy: -36.780
Base-Backbone interact. energy: -0.186
local terms energy: -58.505397
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -97.339386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.339386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.339386 (E_RNA)
where:
Base-Base interactions energy: -41.404
where: short stacking energy: -36.779
Base-Backbone interact. energy: -0.942
local terms energy: -54.992971
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -82.592564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.592564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.592564 (E_RNA)
where:
Base-Base interactions energy: -35.421
where: short stacking energy: -32.987
Base-Backbone interact. energy: -0.239
local terms energy: -46.932494
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -84.029216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.029216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.029216 (E_RNA)
where:
Base-Base interactions energy: -45.357
where: short stacking energy: -32.347
Base-Backbone interact. energy: 0.502
local terms energy: -39.174853
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -81.534755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.534755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.534755 (E_RNA)
where:
Base-Base interactions energy: -35.166
where: short stacking energy: -20.634
Base-Backbone interact. energy: -0.158
local terms energy: -46.211130
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -7.194
flat angles P-C4'-P energy: -8.370
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: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -216.090151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.090151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.090151 (E_RNA)
where:
Base-Base interactions energy: -137.343
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.057
local terms energy: -78.690506
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -186.416752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.416752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.416752 (E_RNA)
where:
Base-Base interactions energy: -116.370
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.042
local terms energy: -70.004655
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -170.608087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.608087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.608087 (E_RNA)
where:
Base-Base interactions energy: -96.534
where: short stacking energy: -54.010
Base-Backbone interact. energy: -0.750
local terms energy: -73.323778
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -210.621460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.621460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.621460 (E_RNA)
where:
Base-Base interactions energy: -137.964
where: short stacking energy: -71.052
Base-Backbone interact. energy: -0.142
local terms energy: -72.515628
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -22.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -107.093817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.093817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.093817 (E_RNA)
where:
Base-Base interactions energy: -53.214
where: short stacking energy: -38.442
Base-Backbone interact. energy: -0.091
local terms energy: -53.788073
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -91.139583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.139583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.139583 (E_RNA)
where:
Base-Base interactions energy: -42.360
where: short stacking energy: -20.504
Base-Backbone interact. energy: -0.477
local terms energy: -48.302981
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -9.899
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: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -102.369057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.369057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.369057 (E_RNA)
where:
Base-Base interactions energy: -44.443
where: short stacking energy: -41.011
Base-Backbone interact. energy: 0.815
local terms energy: -58.741181
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -85.834578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.834578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.834578 (E_RNA)
where:
Base-Base interactions energy: -35.390
where: short stacking energy: -35.390
Base-Backbone interact. energy: -0.041
local terms energy: -50.404342
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -7.198
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: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -90.504019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.504019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.504019 (E_RNA)
where:
Base-Base interactions energy: -42.566
where: short stacking energy: -41.710
Base-Backbone interact. energy: -0.123
local terms energy: -47.815451
where:
bonds (distance) C4'-P energy: -5.571
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -8.793
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: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -84.737183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.737183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.737183 (E_RNA)
where:
Base-Base interactions energy: -50.974
where: short stacking energy: -27.728
Base-Backbone interact. energy: 0.350
local terms energy: -34.112539
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -3.855
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -7.599
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: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -213.798618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.798618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.798618 (E_RNA)
where:
Base-Base interactions energy: -133.204
where: short stacking energy: -65.226
Base-Backbone interact. energy: -0.004
local terms energy: -80.590814
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -18.733
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: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -188.962915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.962915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.962915 (E_RNA)
where:
Base-Base interactions energy: -118.633
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.070
local terms energy: -70.259581
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -189.266223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.266223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.266223 (E_RNA)
where:
Base-Base interactions energy: -119.368
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.144
local terms energy: -69.754679
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -153.050123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.050123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.050123 (E_RNA)
where:
Base-Base interactions energy: -90.972
where: short stacking energy: -43.960
Base-Backbone interact. energy: 0.163
local terms energy: -62.241540
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -7.293
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: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -131.045856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.045856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.045856 (E_RNA)
where:
Base-Base interactions energy: -62.085
where: short stacking energy: -40.633
Base-Backbone interact. energy: -0.046
local terms energy: -68.915370
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -100.236962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.236962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.236962 (E_RNA)
where:
Base-Base interactions energy: -51.333
where: short stacking energy: -39.444
Base-Backbone interact. energy: -0.070
local terms energy: -48.834356
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: -6.316
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: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -87.412131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.412131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.412131 (E_RNA)
where:
Base-Base interactions energy: -38.043
where: short stacking energy: -22.011
Base-Backbone interact. energy: -0.419
local terms energy: -48.950267
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -9.327
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: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -98.036065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.036065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.036065 (E_RNA)
where:
Base-Base interactions energy: -36.852
where: short stacking energy: -24.372
Base-Backbone interact. energy: -0.410
local terms energy: -60.774720
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -92.707197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.707197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.707197 (E_RNA)
where:
Base-Base interactions energy: -37.530
where: short stacking energy: -37.319
Base-Backbone interact. energy: 0.117
local terms energy: -55.293887
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -8.718
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: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -86.256631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.256631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.256631 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -32.840
Base-Backbone interact. energy: -0.042
local terms energy: -51.678575
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -208.004836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.004836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.004836 (E_RNA)
where:
Base-Base interactions energy: -135.691
where: short stacking energy: -71.517
Base-Backbone interact. energy: -0.129
local terms energy: -72.184662
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -21.553
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: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -199.501112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.501112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.501112 (E_RNA)
where:
Base-Base interactions energy: -126.860
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.003
local terms energy: -72.638043
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -170.716414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.716414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.716414 (E_RNA)
where:
Base-Base interactions energy: -102.044
where: short stacking energy: -53.113
Base-Backbone interact. energy: -0.843
local terms energy: -67.829903
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -145.143398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.143398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.143398 (E_RNA)
where:
Base-Base interactions energy: -92.760
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.086
local terms energy: -52.297074
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -1.301
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -131.271705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.271705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.271705 (E_RNA)
where:
Base-Base interactions energy: -78.359
where: short stacking energy: -46.810
Base-Backbone interact. energy: -0.070
local terms energy: -52.843361
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -130.956172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.956172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.956172 (E_RNA)
where:
Base-Base interactions energy: -80.762
where: short stacking energy: -40.086
Base-Backbone interact. energy: -0.201
local terms energy: -49.992883
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -90.821038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.821038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.821038 (E_RNA)
where:
Base-Base interactions energy: -40.961
where: short stacking energy: -40.686
Base-Backbone interact. energy: 1.266
local terms energy: -51.126646
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -3.871
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: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -81.761980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.761980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.761980 (E_RNA)
where:
Base-Base interactions energy: -39.601
where: short stacking energy: -20.873
Base-Backbone interact. energy: 0.203
local terms energy: -42.363147
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -85.033453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.033453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.033453 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -32.907
Base-Backbone interact. energy: -0.262
local terms energy: -51.864921
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -87.963571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.963571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.963571 (E_RNA)
where:
Base-Base interactions energy: -37.622
where: short stacking energy: -37.622
Base-Backbone interact. energy: -0.022
local terms energy: -50.319737
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -8.223
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -212.313145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.313145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.313145 (E_RNA)
where:
Base-Base interactions energy: -135.383
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.022
local terms energy: -76.907983
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -203.758176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.758176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.758176 (E_RNA)
where:
Base-Base interactions energy: -129.155
where: short stacking energy: -68.848
Base-Backbone interact. energy: -0.557
local terms energy: -74.045652
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -21.911
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: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -173.744147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.744147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.744147 (E_RNA)
where:
Base-Base interactions energy: -109.670
where: short stacking energy: -60.333
Base-Backbone interact. energy: -0.156
local terms energy: -63.918164
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.389
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: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -154.993153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.993153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.993153 (E_RNA)
where:
Base-Base interactions energy: -93.000
where: short stacking energy: -51.538
Base-Backbone interact. energy: -0.588
local terms energy: -61.404301
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -157.371982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.371982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.371982 (E_RNA)
where:
Base-Base interactions energy: -101.582
where: short stacking energy: -50.000
Base-Backbone interact. energy: -0.042
local terms energy: -55.747799
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -6.697
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -15.174
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: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -163.012802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.012802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.012802 (E_RNA)
where:
Base-Base interactions energy: -93.212
where: short stacking energy: -57.739
Base-Backbone interact. energy: -0.158
local terms energy: -69.642932
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -100.487976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.487976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.487976 (E_RNA)
where:
Base-Base interactions energy: -54.367
where: short stacking energy: -25.774
Base-Backbone interact. energy: 0.412
local terms energy: -46.533530
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -5.302
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -88.697753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.697753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.697753 (E_RNA)
where:
Base-Base interactions energy: -34.412
where: short stacking energy: -24.712
Base-Backbone interact. energy: -0.601
local terms energy: -53.684814
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -85.664162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.664162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.664162 (E_RNA)
where:
Base-Base interactions energy: -32.650
where: short stacking energy: -31.804
Base-Backbone interact. energy: -0.120
local terms energy: -52.894088
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -74.578657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.578657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.578657 (E_RNA)
where:
Base-Base interactions energy: -26.756
where: short stacking energy: -22.316
Base-Backbone interact. energy: -0.211
local terms energy: -47.611360
where:
bonds (distance) C4'-P energy: -7.475
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -209.960931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.960931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.960931 (E_RNA)
where:
Base-Base interactions energy: -136.483
where: short stacking energy: -68.682
Base-Backbone interact. energy: -0.085
local terms energy: -73.392895
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -183.255772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.255772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.255772 (E_RNA)
where:
Base-Base interactions energy: -115.359
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.218
local terms energy: -67.677944
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -11.409
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: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -185.625995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.625995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.625995 (E_RNA)
where:
Base-Base interactions energy: -120.344
where: short stacking energy: -53.147
Base-Backbone interact. energy: -1.408
local terms energy: -63.874304
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -14.117
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: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -163.882508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.882508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.882508 (E_RNA)
where:
Base-Base interactions energy: -95.525
where: short stacking energy: -46.779
Base-Backbone interact. energy: -0.067
local terms energy: -68.290994
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -147.060530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.060530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.060530 (E_RNA)
where:
Base-Base interactions energy: -92.074
where: short stacking energy: -46.678
Base-Backbone interact. energy: -0.543
local terms energy: -54.444225
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -9.983
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -157.140766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.140766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.140766 (E_RNA)
where:
Base-Base interactions energy: -95.790
where: short stacking energy: -49.182
Base-Backbone interact. energy: -0.035
local terms energy: -61.315631
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -6.734
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: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -90.289815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.289815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.289815 (E_RNA)
where:
Base-Base interactions energy: -35.037
where: short stacking energy: -31.895
Base-Backbone interact. energy: -0.113
local terms energy: -55.140157
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -84.968595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.968595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.968595 (E_RNA)
where:
Base-Base interactions energy: -37.025
where: short stacking energy: -36.610
Base-Backbone interact. energy: -0.233
local terms energy: -47.710669
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -88.273835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.273835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.273835 (E_RNA)
where:
Base-Base interactions energy: -41.437
where: short stacking energy: -32.349
Base-Backbone interact. energy: -0.365
local terms energy: -46.471639
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -92.266726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.266726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.266726 (E_RNA)
where:
Base-Base interactions energy: -42.409
where: short stacking energy: -26.660
Base-Backbone interact. energy: -0.136
local terms energy: -49.721889
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -2.285
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: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -209.155640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.155640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.155640 (E_RNA)
where:
Base-Base interactions energy: -136.114
where: short stacking energy: -70.630
Base-Backbone interact. energy: -0.431
local terms energy: -72.610617
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -177.510598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.510598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.510598 (E_RNA)
where:
Base-Base interactions energy: -110.509
where: short stacking energy: -60.719
Base-Backbone interact. energy: -0.104
local terms energy: -66.896780
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -180.013388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.013388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.013388 (E_RNA)
where:
Base-Base interactions energy: -107.168
where: short stacking energy: -61.545
Base-Backbone interact. energy: -0.060
local terms energy: -72.786070
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -170.718912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.718912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.718912 (E_RNA)
where:
Base-Base interactions energy: -93.777
where: short stacking energy: -58.694
Base-Backbone interact. energy: -0.297
local terms energy: -76.644886
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -166.887048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.887048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.887048 (E_RNA)
where:
Base-Base interactions energy: -99.295
where: short stacking energy: -42.099
Base-Backbone interact. energy: 0.529
local terms energy: -68.121106
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -152.262195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.262195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.262195 (E_RNA)
where:
Base-Base interactions energy: -97.694
where: short stacking energy: -50.060
Base-Backbone interact. energy: -0.477
local terms energy: -54.091739
where:
bonds (distance) C4'-P energy: -7.863
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -8.890
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: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -97.350359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.350359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.350359 (E_RNA)
where:
Base-Base interactions energy: -45.198
where: short stacking energy: -39.236
Base-Backbone interact. energy: -0.148
local terms energy: -52.004832
where:
bonds (distance) C4'-P energy: -3.965
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -112.840649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.840649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.840649 (E_RNA)
where:
Base-Base interactions energy: -54.445
where: short stacking energy: -28.255
Base-Backbone interact. energy: -0.371
local terms energy: -58.024828
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -78.673193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.673193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.673193 (E_RNA)
where:
Base-Base interactions energy: -38.915
where: short stacking energy: -27.659
Base-Backbone interact. energy: -0.073
local terms energy: -39.684546
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -7.628
flat angles C4'-P-C4' energy: -7.680
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -69.933601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.933601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.933601 (E_RNA)
where:
Base-Base interactions energy: -21.861
where: short stacking energy: -19.860
Base-Backbone interact. energy: 0.447
local terms energy: -48.519835
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -211.621148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.621148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.621148 (E_RNA)
where:
Base-Base interactions energy: -135.783
where: short stacking energy: -68.814
Base-Backbone interact. energy: -1.980
local terms energy: -73.858221
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -174.932459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.932459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.932459 (E_RNA)
where:
Base-Base interactions energy: -107.542
where: short stacking energy: -59.149
Base-Backbone interact. energy: 0.222
local terms energy: -67.612998
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -15.470
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: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -163.738429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.738429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.738429 (E_RNA)
where:
Base-Base interactions energy: -96.748
where: short stacking energy: -53.550
Base-Backbone interact. energy: 3.293
local terms energy: -70.284056
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -171.655335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.655335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.655335 (E_RNA)
where:
Base-Base interactions energy: -113.050
where: short stacking energy: -54.306
Base-Backbone interact. energy: -0.130
local terms energy: -58.474750
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -7.653
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: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -158.274737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.274737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.274737 (E_RNA)
where:
Base-Base interactions energy: -85.853
where: short stacking energy: -33.345
Base-Backbone interact. energy: -1.516
local terms energy: -70.905345
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -132.315191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.315191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.315191 (E_RNA)
where:
Base-Base interactions energy: -79.865
where: short stacking energy: -50.420
Base-Backbone interact. energy: -0.154
local terms energy: -52.296911
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -7.344
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -156.215580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.215580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.215580 (E_RNA)
where:
Base-Base interactions energy: -88.942
where: short stacking energy: -46.173
Base-Backbone interact. energy: -0.004
local terms energy: -67.270405
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -16.173
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: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -86.514462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.514462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.514462 (E_RNA)
where:
Base-Base interactions energy: -38.319
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.124
local terms energy: -48.071899
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -5.317
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: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -86.722637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.722637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.722637 (E_RNA)
where:
Base-Base interactions energy: -41.552
where: short stacking energy: -35.479
Base-Backbone interact. energy: -0.092
local terms energy: -45.078748
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -1.811
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: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -84.257318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.257318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.257318 (E_RNA)
where:
Base-Base interactions energy: -27.416
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.063
local terms energy: -56.778745
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -214.630053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.630053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.630053 (E_RNA)
where:
Base-Base interactions energy: -134.975
where: short stacking energy: -72.177
Base-Backbone interact. energy: -0.018
local terms energy: -79.637498
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -184.563511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.563511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.563511 (E_RNA)
where:
Base-Base interactions energy: -106.728
where: short stacking energy: -68.325
Base-Backbone interact. energy: -0.079
local terms energy: -77.756070
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -196.880096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.880096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.880096 (E_RNA)
where:
Base-Base interactions energy: -131.583
where: short stacking energy: -60.375
Base-Backbone interact. energy: 1.700
local terms energy: -66.997013
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -169.573387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.573387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.573387 (E_RNA)
where:
Base-Base interactions energy: -97.892
where: short stacking energy: -46.220
Base-Backbone interact. energy: -0.109
local terms energy: -71.572122
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.306
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: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -161.607479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.607479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.607479 (E_RNA)
where:
Base-Base interactions energy: -99.200
where: short stacking energy: -53.200
Base-Backbone interact. energy: -0.196
local terms energy: -62.211340
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -15.265
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: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -170.471202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.471202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.471202 (E_RNA)
where:
Base-Base interactions energy: -100.508
where: short stacking energy: -51.230
Base-Backbone interact. energy: -0.416
local terms energy: -69.547182
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -150.892617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.892617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.892617 (E_RNA)
where:
Base-Base interactions energy: -89.102
where: short stacking energy: -43.147
Base-Backbone interact. energy: -0.197
local terms energy: -61.594249
where:
bonds (distance) C4'-P energy: -6.629
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -79.480362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.480362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.480362 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.818
local terms energy: -48.544906
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -79.303486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.303486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.303486 (E_RNA)
where:
Base-Base interactions energy: -31.173
where: short stacking energy: -27.193
Base-Backbone interact. energy: -0.308
local terms energy: -47.822620
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -71.711058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.711058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.711058 (E_RNA)
where:
Base-Base interactions energy: -28.971
where: short stacking energy: -28.971
Base-Backbone interact. energy: -0.427
local terms energy: -42.312760
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -216.595630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.595630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.595630 (E_RNA)
where:
Base-Base interactions energy: -140.211
where: short stacking energy: -73.260
Base-Backbone interact. energy: -0.028
local terms energy: -76.356817
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -198.037374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.037374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.037374 (E_RNA)
where:
Base-Base interactions energy: -136.754
where: short stacking energy: -50.215
Base-Backbone interact. energy: 0.277
local terms energy: -61.559679
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -169.852406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.852406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.852406 (E_RNA)
where:
Base-Base interactions energy: -98.284
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.008
local terms energy: -71.560435
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -169.649339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.649339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.649339 (E_RNA)
where:
Base-Base interactions energy: -102.406
where: short stacking energy: -50.617
Base-Backbone interact. energy: -0.142
local terms energy: -67.101331
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -11.452
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: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -146.249747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.249747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.249747 (E_RNA)
where:
Base-Base interactions energy: -80.023
where: short stacking energy: -51.231
Base-Backbone interact. energy: -0.030
local terms energy: -66.197528
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -155.158185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.158185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.158185 (E_RNA)
where:
Base-Base interactions energy: -96.035
where: short stacking energy: -59.472
Base-Backbone interact. energy: -0.326
local terms energy: -58.796358
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -11.008
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: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -151.914570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.914570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.914570 (E_RNA)
where:
Base-Base interactions energy: -94.837
where: short stacking energy: -41.523
Base-Backbone interact. energy: -0.196
local terms energy: -56.882349
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -93.300510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.300510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.300510 (E_RNA)
where:
Base-Base interactions energy: -41.455
where: short stacking energy: -28.802
Base-Backbone interact. energy: 1.016
local terms energy: -52.860567
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -73.041387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.041387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.041387 (E_RNA)
where:
Base-Base interactions energy: -26.239
where: short stacking energy: -19.437
Base-Backbone interact. energy: -0.046
local terms energy: -46.756833
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: 3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -73.109822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.109822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.109822 (E_RNA)
where:
Base-Base interactions energy: -19.931
where: short stacking energy: -16.893
Base-Backbone interact. energy: -0.155
local terms energy: -53.024043
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: 2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -226.043373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.043373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.043373 (E_RNA)
where:
Base-Base interactions energy: -146.411
where: short stacking energy: -74.438
Base-Backbone interact. energy: -0.028
local terms energy: -79.604005
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -22.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -200.835610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.835610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.835610 (E_RNA)
where:
Base-Base interactions energy: -130.897
where: short stacking energy: -59.702
Base-Backbone interact. energy: -0.123
local terms energy: -69.816110
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -182.736381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.736381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.736381 (E_RNA)
where:
Base-Base interactions energy: -110.539
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.660
local terms energy: -71.537442
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -172.086837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.086837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.086837 (E_RNA)
where:
Base-Base interactions energy: -110.010
where: short stacking energy: -53.213
Base-Backbone interact. energy: -0.069
local terms energy: -62.007476
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -7.709
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -145.723134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.723134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.723134 (E_RNA)
where:
Base-Base interactions energy: -83.965
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.023
local terms energy: -61.734434
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -8.984
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -124.077370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.077370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.077370 (E_RNA)
where:
Base-Base interactions energy: -69.449
where: short stacking energy: -32.401
Base-Backbone interact. energy: -0.960
local terms energy: -53.668712
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -153.528192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.528192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.528192 (E_RNA)
where:
Base-Base interactions energy: -90.551
where: short stacking energy: -49.812
Base-Backbone interact. energy: -0.709
local terms energy: -62.268895
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -97.423734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.423734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.423734 (E_RNA)
where:
Base-Base interactions energy: -48.400
where: short stacking energy: -31.004
Base-Backbone interact. energy: -0.069
local terms energy: -48.955035
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -86.222238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.222238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.222238 (E_RNA)
where:
Base-Base interactions energy: -30.454
where: short stacking energy: -28.990
Base-Backbone interact. energy: -0.080
local terms energy: -55.688335
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.417
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: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -93.137360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.137360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.137360 (E_RNA)
where:
Base-Base interactions energy: -34.518
where: short stacking energy: -32.497
Base-Backbone interact. energy: -0.245
local terms energy: -58.374504
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -226.040049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.040049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.040049 (E_RNA)
where:
Base-Base interactions energy: -136.602
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.521
local terms energy: -88.917624
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -24.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -205.960879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.960879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.960879 (E_RNA)
where:
Base-Base interactions energy: -135.192
where: short stacking energy: -61.995
Base-Backbone interact. energy: -0.435
local terms energy: -70.333849
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -135.959287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.959287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.959287 (E_RNA)
where:
Base-Base interactions energy: -73.670
where: short stacking energy: -44.209
Base-Backbone interact. energy: -0.179
local terms energy: -62.110023
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -155.130036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.130036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.130036 (E_RNA)
where:
Base-Base interactions energy: -94.304
where: short stacking energy: -56.445
Base-Backbone interact. energy: -0.076
local terms energy: -60.749616
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -169.039318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.039318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.039318 (E_RNA)
where:
Base-Base interactions energy: -101.252
where: short stacking energy: -46.782
Base-Backbone interact. energy: -0.084
local terms energy: -67.702555
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -9.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -162.717933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.717933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.717933 (E_RNA)
where:
Base-Base interactions energy: -96.129
where: short stacking energy: -53.803
Base-Backbone interact. energy: -0.385
local terms energy: -66.203904
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -12.930
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: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -90.950903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.950903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.950903 (E_RNA)
where:
Base-Base interactions energy: -39.955
where: short stacking energy: -38.092
Base-Backbone interact. energy: -0.011
local terms energy: -50.985741
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -5.832
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -126.990939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.990939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.990939 (E_RNA)
where:
Base-Base interactions energy: -73.771
where: short stacking energy: -42.970
Base-Backbone interact. energy: -0.118
local terms energy: -53.101658
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -8.648
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -87.299071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.299071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.299071 (E_RNA)
where:
Base-Base interactions energy: -27.100
where: short stacking energy: -27.100
Base-Backbone interact. energy: -0.085
local terms energy: -60.114211
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -11.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -78.091935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.091935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.091935 (E_RNA)
where:
Base-Base interactions energy: -31.196
where: short stacking energy: -29.202
Base-Backbone interact. energy: -0.513
local terms energy: -46.383365
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -7.573
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: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -220.715297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.715297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.715297 (E_RNA)
where:
Base-Base interactions energy: -144.160
where: short stacking energy: -69.978
Base-Backbone interact. energy: -0.022
local terms energy: -76.533699
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -203.788227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.788227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.788227 (E_RNA)
where:
Base-Base interactions energy: -135.921
where: short stacking energy: -57.175
Base-Backbone interact. energy: -1.920
local terms energy: -65.947987
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -149.759291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.759291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.759291 (E_RNA)
where:
Base-Base interactions energy: -86.679
where: short stacking energy: -50.412
Base-Backbone interact. energy: -0.013
local terms energy: -63.066903
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -5.430
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: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -150.604088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.604088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.604088 (E_RNA)
where:
Base-Base interactions energy: -87.702
where: short stacking energy: -54.518
Base-Backbone interact. energy: -0.157
local terms energy: -62.745362
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -172.003604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.003604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.003604 (E_RNA)
where:
Base-Base interactions energy: -101.674
where: short stacking energy: -58.957
Base-Backbone interact. energy: -1.369
local terms energy: -68.960943
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -6.943
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: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -140.628770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.628770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.628770 (E_RNA)
where:
Base-Base interactions energy: -81.795
where: short stacking energy: -47.846
Base-Backbone interact. energy: -0.130
local terms energy: -58.702892
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -9.784
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: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -111.357141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.357141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.357141 (E_RNA)
where:
Base-Base interactions energy: -60.444
where: short stacking energy: -33.061
Base-Backbone interact. energy: -0.227
local terms energy: -50.685347
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -78.117275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.117275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.117275 (E_RNA)
where:
Base-Base interactions energy: -39.106
where: short stacking energy: -18.513
Base-Backbone interact. energy: -0.318
local terms energy: -38.693987
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: 4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -85.753675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.753675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.753675 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -17.765
Base-Backbone interact. energy: -0.096
local terms energy: -55.560994
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -6.065
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: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -97.605882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.605882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.605882 (E_RNA)
where:
Base-Base interactions energy: -41.948
where: short stacking energy: -23.394
Base-Backbone interact. energy: -0.295
local terms energy: -55.363066
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -11.958
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: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -218.168146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.168146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.168146 (E_RNA)
where:
Base-Base interactions energy: -140.635
where: short stacking energy: -71.142
Base-Backbone interact. energy: -0.152
local terms energy: -77.381583
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -18.654
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: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -203.523691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.523691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.523691 (E_RNA)
where:
Base-Base interactions energy: -128.887
where: short stacking energy: -56.070
Base-Backbone interact. energy: -1.248
local terms energy: -73.388991
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -10.568
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: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -169.899747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.899747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.899747 (E_RNA)
where:
Base-Base interactions energy: -100.796
where: short stacking energy: -65.513
Base-Backbone interact. energy: -0.155
local terms energy: -68.949247
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -159.911146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.911146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.911146 (E_RNA)
where:
Base-Base interactions energy: -99.963
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.731
local terms energy: -59.217041
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -4.892
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: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -134.357508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.357508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.357508 (E_RNA)
where:
Base-Base interactions energy: -76.899
where: short stacking energy: -36.374
Base-Backbone interact. energy: 0.207
local terms energy: -57.665794
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -141.926070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.926070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.926070 (E_RNA)
where:
Base-Base interactions energy: -82.607
where: short stacking energy: -42.885
Base-Backbone interact. energy: -0.086
local terms energy: -59.232852
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -8.181
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: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -114.401322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.401322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.401322 (E_RNA)
where:
Base-Base interactions energy: -65.416
where: short stacking energy: -38.818
Base-Backbone interact. energy: -0.685
local terms energy: -48.300157
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -5.282
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -89.132416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.132416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.132416 (E_RNA)
where:
Base-Base interactions energy: -39.585
where: short stacking energy: -23.750
Base-Backbone interact. energy: -0.145
local terms energy: -49.402525
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -9.871
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -82.612309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.612309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.612309 (E_RNA)
where:
Base-Base interactions energy: -25.227
where: short stacking energy: -24.731
Base-Backbone interact. energy: -0.028
local terms energy: -57.356988
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -77.222588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.222588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.222588 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -26.983
Base-Backbone interact. energy: 0.625
local terms energy: -39.120992
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -1.739
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -205.400777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.400777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.400777 (E_RNA)
where:
Base-Base interactions energy: -131.537
where: short stacking energy: -51.469
Base-Backbone interact. energy: -0.012
local terms energy: -73.851172
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.283
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: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -216.506244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.506244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.506244 (E_RNA)
where:
Base-Base interactions energy: -139.109
where: short stacking energy: -71.351
Base-Backbone interact. energy: -0.012
local terms energy: -77.384846
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -23.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -184.565939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.565939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.565939 (E_RNA)
where:
Base-Base interactions energy: -122.401
where: short stacking energy: -55.566
Base-Backbone interact. energy: 0.802
local terms energy: -62.966513
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -174.916017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.916017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.916017 (E_RNA)
where:
Base-Base interactions energy: -107.681
where: short stacking energy: -55.141
Base-Backbone interact. energy: -0.527
local terms energy: -66.708197
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -15.918
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: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -143.768076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.768076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.768076 (E_RNA)
where:
Base-Base interactions energy: -81.851
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.263
local terms energy: -61.654193
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -101.604871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.604871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.604871 (E_RNA)
where:
Base-Base interactions energy: -52.000
where: short stacking energy: -33.195
Base-Backbone interact. energy: -0.025
local terms energy: -49.579289
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -0.304
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: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -99.310045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.310045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.310045 (E_RNA)
where:
Base-Base interactions energy: -44.979
where: short stacking energy: -44.979
Base-Backbone interact. energy: 1.079
local terms energy: -55.410275
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -7.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -115.787706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.787706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.787706 (E_RNA)
where:
Base-Base interactions energy: -62.351
where: short stacking energy: -39.996
Base-Backbone interact. energy: -1.206
local terms energy: -52.230080
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -78.696716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.696716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.696716 (E_RNA)
where:
Base-Base interactions energy: -27.745
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.028
local terms energy: -50.923394
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -90.206308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.206308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.206308 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -22.579
Base-Backbone interact. energy: -0.014
local terms energy: -54.058494
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -6.947
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: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -194.722899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.722899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.722899 (E_RNA)
where:
Base-Base interactions energy: -114.547
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.297
local terms energy: -79.878490
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -21.239
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: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -219.483550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.483550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.483550 (E_RNA)
where:
Base-Base interactions energy: -144.527
where: short stacking energy: -68.567
Base-Backbone interact. energy: -0.014
local terms energy: -74.942632
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -191.640839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.640839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.640839 (E_RNA)
where:
Base-Base interactions energy: -120.874
where: short stacking energy: -66.240
Base-Backbone interact. energy: -0.470
local terms energy: -70.297607
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -18.778
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: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -166.388886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.388886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.388886 (E_RNA)
where:
Base-Base interactions energy: -94.661
where: short stacking energy: -47.053
Base-Backbone interact. energy: -0.129
local terms energy: -71.598584
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -11.878
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: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -142.423890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.423890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.423890 (E_RNA)
where:
Base-Base interactions energy: -88.909
where: short stacking energy: -47.731
Base-Backbone interact. energy: -0.321
local terms energy: -53.193531
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -98.653579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.653579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.653579 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -31.152
Base-Backbone interact. energy: -0.020
local terms energy: -57.775942
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -9.916
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -103.703960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.703960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.703960 (E_RNA)
where:
Base-Base interactions energy: -51.888
where: short stacking energy: -23.224
Base-Backbone interact. energy: -0.783
local terms energy: -51.032429
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -5.747
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: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -83.605488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.605488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.605488 (E_RNA)
where:
Base-Base interactions energy: -30.318
where: short stacking energy: -30.318
Base-Backbone interact. energy: -0.006
local terms energy: -53.281390
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -9.169
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: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -89.430331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.430331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.430331 (E_RNA)
where:
Base-Base interactions energy: -46.162
where: short stacking energy: -26.136
Base-Backbone interact. energy: 0.587
local terms energy: -43.855648
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -8.555
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: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -80.932822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.932822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.932822 (E_RNA)
where:
Base-Base interactions energy: -25.157
where: short stacking energy: -24.681
Base-Backbone interact. energy: -0.066
local terms energy: -55.709377
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -227.433565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.433565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.433565 (E_RNA)
where:
Base-Base interactions energy: -148.664
where: short stacking energy: -74.309
Base-Backbone interact. energy: -0.003
local terms energy: -78.766508
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -18.782
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: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -190.739426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.739426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.739426 (E_RNA)
where:
Base-Base interactions energy: -110.320
where: short stacking energy: -57.445
Base-Backbone interact. energy: -0.016
local terms energy: -80.403711
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -19.568
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: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -182.243850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.243850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.243850 (E_RNA)
where:
Base-Base interactions energy: -112.098
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.006
local terms energy: -70.139855
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -166.627955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.627955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.627955 (E_RNA)
where:
Base-Base interactions energy: -108.832
where: short stacking energy: -52.907
Base-Backbone interact. energy: -0.108
local terms energy: -57.688435
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -9.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -171.409466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.409466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.409466 (E_RNA)
where:
Base-Base interactions energy: -101.320
where: short stacking energy: -55.741
Base-Backbone interact. energy: -0.085
local terms energy: -70.003789
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -100.731630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.731630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.731630 (E_RNA)
where:
Base-Base interactions energy: -44.145
where: short stacking energy: -29.895
Base-Backbone interact. energy: -0.886
local terms energy: -55.700845
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -8.976
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: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -130.132345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.132345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.132345 (E_RNA)
where:
Base-Base interactions energy: -77.207
where: short stacking energy: -44.982
Base-Backbone interact. energy: -0.136
local terms energy: -52.789653
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -90.014967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.014967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.014967 (E_RNA)
where:
Base-Base interactions energy: -53.397
where: short stacking energy: -23.658
Base-Backbone interact. energy: 0.511
local terms energy: -37.129419
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: 0.798
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: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -85.935313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.935313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.935313 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -29.120
Base-Backbone interact. energy: -0.904
local terms energy: -50.294432
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.233
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: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -86.597287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.597287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.597287 (E_RNA)
where:
Base-Base interactions energy: -43.712
where: short stacking energy: -21.905
Base-Backbone interact. energy: -1.169
local terms energy: -41.716563
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -219.452592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.452592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.452592 (E_RNA)
where:
Base-Base interactions energy: -145.218
where: short stacking energy: -69.216
Base-Backbone interact. energy: -0.021
local terms energy: -74.214285
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -11.442
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: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -177.705330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.705330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.705330 (E_RNA)
where:
Base-Base interactions energy: -109.348
where: short stacking energy: -61.541
Base-Backbone interact. energy: -1.895
local terms energy: -66.462355
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -179.407878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.407878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.407878 (E_RNA)
where:
Base-Base interactions energy: -108.851
where: short stacking energy: -58.867
Base-Backbone interact. energy: -0.787
local terms energy: -69.769857
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -167.829088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.829088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.829088 (E_RNA)
where:
Base-Base interactions energy: -100.119
where: short stacking energy: -44.498
Base-Backbone interact. energy: -0.120
local terms energy: -67.590060
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -12.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -164.976186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.976186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.976186 (E_RNA)
where:
Base-Base interactions energy: -100.567
where: short stacking energy: -60.080
Base-Backbone interact. energy: 0.475
local terms energy: -64.884494
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -151.736817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.736817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.736817 (E_RNA)
where:
Base-Base interactions energy: -92.650
where: short stacking energy: -51.376
Base-Backbone interact. energy: -0.105
local terms energy: -58.981058
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.043
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: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -91.643406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.643406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.643406 (E_RNA)
where:
Base-Base interactions energy: -40.669
where: short stacking energy: -38.956
Base-Backbone interact. energy: -0.226
local terms energy: -50.748280
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -88.539100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.539100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.539100 (E_RNA)
where:
Base-Base interactions energy: -44.745
where: short stacking energy: -27.718
Base-Backbone interact. energy: -0.198
local terms energy: -43.596328
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -80.739577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.739577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.739577 (E_RNA)
where:
Base-Base interactions energy: -34.862
where: short stacking energy: -34.862
Base-Backbone interact. energy: -0.029
local terms energy: -45.848758
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -83.069678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.069678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.069678 (E_RNA)
where:
Base-Base interactions energy: -31.233
where: short stacking energy: -28.807
Base-Backbone interact. energy: -0.074
local terms energy: -51.762655
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -7.449
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -199.969200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.969200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.969200 (E_RNA)
where:
Base-Base interactions energy: -125.057
where: short stacking energy: -71.205
Base-Backbone interact. energy: -0.185
local terms energy: -74.727482
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -10.754
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: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -217.283122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.283122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.283122 (E_RNA)
where:
Base-Base interactions energy: -143.126
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.010
local terms energy: -74.147559
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -180.298704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.298704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.298704 (E_RNA)
where:
Base-Base interactions energy: -110.042
where: short stacking energy: -68.445
Base-Backbone interact. energy: 0.154
local terms energy: -70.410536
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -168.430542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.430542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.430542 (E_RNA)
where:
Base-Base interactions energy: -105.436
where: short stacking energy: -57.145
Base-Backbone interact. energy: -0.059
local terms energy: -62.934729
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -12.571
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: 288
Temperature: 1.100000
Total energy: -176.997325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.997325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.997325 (E_RNA)
where:
Base-Base interactions energy: -112.255
where: short stacking energy: -56.213
Base-Backbone interact. energy: -0.069
local terms energy: -64.674266
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -149.220101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.220101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.220101 (E_RNA)
where:
Base-Base interactions energy: -84.027
where: short stacking energy: -43.096
Base-Backbone interact. energy: -1.353
local terms energy: -63.839859
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -119.406455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.406455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.406455 (E_RNA)
where:
Base-Base interactions energy: -67.285
where: short stacking energy: -33.504
Base-Backbone interact. energy: -0.016
local terms energy: -52.105867
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -5.263
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -99.481466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.481466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.481466 (E_RNA)
where:
Base-Base interactions energy: -40.151
where: short stacking energy: -34.512
Base-Backbone interact. energy: -0.064
local terms energy: -59.266214
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -103.335815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.335815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.335815 (E_RNA)
where:
Base-Base interactions energy: -52.122
where: short stacking energy: -28.494
Base-Backbone interact. energy: -0.400
local terms energy: -50.813291
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -83.705817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.705817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.705817 (E_RNA)
where:
Base-Base interactions energy: -34.471
where: short stacking energy: -22.567
Base-Backbone interact. energy: -1.008
local terms energy: -48.226841
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -211.286948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.286948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.286948 (E_RNA)
where:
Base-Base interactions energy: -132.271
where: short stacking energy: -63.513
Base-Backbone interact. energy: -1.269
local terms energy: -77.747720
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -187.732260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.732260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.732260 (E_RNA)
where:
Base-Base interactions energy: -115.127
where: short stacking energy: -57.979
Base-Backbone interact. energy: -0.145
local terms energy: -72.459975
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -205.196802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.196802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.196802 (E_RNA)
where:
Base-Base interactions energy: -136.000
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.000
local terms energy: -69.196156
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -7.323
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: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -179.869207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.869207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.869207 (E_RNA)
where:
Base-Base interactions energy: -111.172
where: short stacking energy: -56.064
Base-Backbone interact. energy: -0.022
local terms energy: -68.675168
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -165.311284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.311284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.311284 (E_RNA)
where:
Base-Base interactions energy: -102.135
where: short stacking energy: -55.257
Base-Backbone interact. energy: -0.293
local terms energy: -62.883174
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -151.749736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.749736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.749736 (E_RNA)
where:
Base-Base interactions energy: -84.901
where: short stacking energy: -45.660
Base-Backbone interact. energy: -0.221
local terms energy: -66.627021
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -13.479
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: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -107.428823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.428823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.428823 (E_RNA)
where:
Base-Base interactions energy: -54.877
where: short stacking energy: -31.541
Base-Backbone interact. energy: -0.390
local terms energy: -52.161657
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -83.428956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.428956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.428956 (E_RNA)
where:
Base-Base interactions energy: -33.627
where: short stacking energy: -29.276
Base-Backbone interact. energy: -0.407
local terms energy: -49.394511
where:
bonds (distance) C4'-P energy: -6.866
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -78.405637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.405637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.405637 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.673
local terms energy: -45.456834
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -9.346
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -85.717705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.717705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.717705 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -31.893
Base-Backbone interact. energy: -0.066
local terms energy: -52.917881
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -204.686653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.686653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.686653 (E_RNA)
where:
Base-Base interactions energy: -126.528
where: short stacking energy: -73.716
Base-Backbone interact. energy: -1.025
local terms energy: -77.133641
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -185.403521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.403521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.403521 (E_RNA)
where:
Base-Base interactions energy: -114.922
where: short stacking energy: -61.240
Base-Backbone interact. energy: -1.259
local terms energy: -69.222874
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -194.847229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.847229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.847229 (E_RNA)
where:
Base-Base interactions energy: -125.889
where: short stacking energy: -59.704
Base-Backbone interact. energy: -1.188
local terms energy: -67.769479
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -10.464
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: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -181.526881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.526881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.526881 (E_RNA)
where:
Base-Base interactions energy: -111.320
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.004
local terms energy: -70.202104
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -10.733
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: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -174.354229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.354229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.354229 (E_RNA)
where:
Base-Base interactions energy: -124.174
where: short stacking energy: -57.532
Base-Backbone interact. energy: -0.662
local terms energy: -49.518489
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -2.292
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -156.497791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.497791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.497791 (E_RNA)
where:
Base-Base interactions energy: -92.852
where: short stacking energy: -46.144
Base-Backbone interact. energy: 0.027
local terms energy: -63.672313
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -91.315009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.315009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.315009 (E_RNA)
where:
Base-Base interactions energy: -40.243
where: short stacking energy: -33.790
Base-Backbone interact. energy: -0.149
local terms energy: -50.922778
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -83.006003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.006003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.006003 (E_RNA)
where:
Base-Base interactions energy: -35.650
where: short stacking energy: -29.264
Base-Backbone interact. energy: -0.422
local terms energy: -46.933374
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -77.286705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.286705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.286705 (E_RNA)
where:
Base-Base interactions energy: -31.575
where: short stacking energy: -30.697
Base-Backbone interact. energy: -0.208
local terms energy: -45.503993
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -72.813187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.813187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.813187 (E_RNA)
where:
Base-Base interactions energy: -22.425
where: short stacking energy: -18.104
Base-Backbone interact. energy: -0.236
local terms energy: -50.152726
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: 0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -213.096438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.096438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.096438 (E_RNA)
where:
Base-Base interactions energy: -131.093
where: short stacking energy: -69.649
Base-Backbone interact. energy: -1.308
local terms energy: -80.695551
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -23.200
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: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -200.284992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.284992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.284992 (E_RNA)
where:
Base-Base interactions energy: -129.739
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.027
local terms energy: -70.518389
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -180.253424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.253424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.253424 (E_RNA)
where:
Base-Base interactions energy: -106.727
where: short stacking energy: -61.884
Base-Backbone interact. energy: -1.040
local terms energy: -72.486419
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -165.055301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.055301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.055301 (E_RNA)
where:
Base-Base interactions energy: -104.263
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.219
local terms energy: -60.573592
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -5.832
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: 291
Temperature: 1.100000
Total energy: -169.724735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.724735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.724735 (E_RNA)
where:
Base-Base interactions energy: -100.274
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.102
local terms energy: -69.348815
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -146.036806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.036806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.036806 (E_RNA)
where:
Base-Base interactions energy: -83.683
where: short stacking energy: -57.497
Base-Backbone interact. energy: -0.016
local terms energy: -62.338234
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -90.480265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.480265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.480265 (E_RNA)
where:
Base-Base interactions energy: -36.787
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.286
local terms energy: -53.406699
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -5.795
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: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -93.099489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.099489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.099489 (E_RNA)
where:
Base-Base interactions energy: -39.945
where: short stacking energy: -33.055
Base-Backbone interact. energy: 0.086
local terms energy: -53.240645
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -8.068
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: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -84.890631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.890631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.890631 (E_RNA)
where:
Base-Base interactions energy: -28.200
where: short stacking energy: -27.543
Base-Backbone interact. energy: -0.064
local terms energy: -56.626538
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -73.776715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.776715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.776715 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -18.709
Base-Backbone interact. energy: -0.397
local terms energy: -41.104457
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -6.946
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: 292
Temperature: 0.900000
Total energy: -202.681975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.681975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.681975 (E_RNA)
where:
Base-Base interactions energy: -128.664
where: short stacking energy: -68.572
Base-Backbone interact. energy: -0.114
local terms energy: -73.903930
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -12.047
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: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -208.895919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.895919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.895919 (E_RNA)
where:
Base-Base interactions energy: -131.195
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.310
local terms energy: -77.390579
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -180.394149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.394149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.394149 (E_RNA)
where:
Base-Base interactions energy: -109.172
where: short stacking energy: -56.342
Base-Backbone interact. energy: 0.538
local terms energy: -71.759418
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -159.841270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.841270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.841270 (E_RNA)
where:
Base-Base interactions energy: -94.886
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.000
local terms energy: -64.954959
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -9.807
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: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -162.687112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.687112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.687112 (E_RNA)
where:
Base-Base interactions energy: -99.389
where: short stacking energy: -48.663
Base-Backbone interact. energy: 0.856
local terms energy: -64.154018
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -123.706792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.706792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.706792 (E_RNA)
where:
Base-Base interactions energy: -66.321
where: short stacking energy: -42.543
Base-Backbone interact. energy: -0.792
local terms energy: -56.593688
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -85.212417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212417 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.084
local terms energy: -51.959914
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -6.696
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: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -103.753878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.753878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.753878 (E_RNA)
where:
Base-Base interactions energy: -51.473
where: short stacking energy: -36.666
Base-Backbone interact. energy: 0.897
local terms energy: -53.178147
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -5.702
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: 292
Temperature: 1.300000
Total energy: -85.102849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.102849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.102849 (E_RNA)
where:
Base-Base interactions energy: -27.828
where: short stacking energy: -26.682
Base-Backbone interact. energy: -0.029
local terms energy: -57.245561
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -3.989
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -83.008937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.008937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.008937 (E_RNA)
where:
Base-Base interactions energy: -30.852
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.337
local terms energy: -51.819528
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -224.630836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.630836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.630836 (E_RNA)
where:
Base-Base interactions energy: -144.440
where: short stacking energy: -75.443
Base-Backbone interact. energy: -0.004
local terms energy: -80.186824
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -11.493
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: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -176.121177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.121177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.121177 (E_RNA)
where:
Base-Base interactions energy: -106.111
where: short stacking energy: -58.769
Base-Backbone interact. energy: -0.002
local terms energy: -70.007828
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -192.839109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.839109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.839109 (E_RNA)
where:
Base-Base interactions energy: -118.820
where: short stacking energy: -57.346
Base-Backbone interact. energy: -1.615
local terms energy: -72.403977
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -10.332
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: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -172.438755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.438755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.438755 (E_RNA)
where:
Base-Base interactions energy: -105.067
where: short stacking energy: -59.165
Base-Backbone interact. energy: -0.214
local terms energy: -67.157739
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -154.944858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.944858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.944858 (E_RNA)
where:
Base-Base interactions energy: -90.030
where: short stacking energy: -48.643
Base-Backbone interact. energy: -0.531
local terms energy: -64.383386
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -7.421
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: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -134.513403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.513403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.513403 (E_RNA)
where:
Base-Base interactions energy: -73.842
where: short stacking energy: -47.651
Base-Backbone interact. energy: -0.064
local terms energy: -60.607625
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -92.668031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.668031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.668031 (E_RNA)
where:
Base-Base interactions energy: -30.982
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.278
local terms energy: -61.408658
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -94.456882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.456882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.456882 (E_RNA)
where:
Base-Base interactions energy: -42.074
where: short stacking energy: -42.074
Base-Backbone interact. energy: 0.599
local terms energy: -52.981565
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -8.618
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: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -84.347336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.347336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.347336 (E_RNA)
where:
Base-Base interactions energy: -33.753
where: short stacking energy: -31.295
Base-Backbone interact. energy: -0.106
local terms energy: -50.488769
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -11.838
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: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -95.117880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.117880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.117880 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.343
local terms energy: -58.078069
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -210.750403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.750403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.750403 (E_RNA)
where:
Base-Base interactions energy: -135.784
where: short stacking energy: -68.371
Base-Backbone interact. energy: -0.006
local terms energy: -74.960622
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -18.779
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: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -188.492147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.492147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.492147 (E_RNA)
where:
Base-Base interactions energy: -114.492
where: short stacking energy: -54.807
Base-Backbone interact. energy: 0.233
local terms energy: -74.232597
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -16.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -190.339486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.339486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.339486 (E_RNA)
where:
Base-Base interactions energy: -117.983
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.153
local terms energy: -72.203443
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -8.022
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: 294
Temperature: 1.050000
Total energy: -168.691571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.691571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.691571 (E_RNA)
where:
Base-Base interactions energy: -94.741
where: short stacking energy: -53.024
Base-Backbone interact. energy: -0.462
local terms energy: -73.488002
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -158.877973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.877973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.877973 (E_RNA)
where:
Base-Base interactions energy: -92.887
where: short stacking energy: -48.956
Base-Backbone interact. energy: -0.239
local terms energy: -65.752444
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -9.026
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: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -112.189214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.189214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.189214 (E_RNA)
where:
Base-Base interactions energy: -55.613
where: short stacking energy: -37.333
Base-Backbone interact. energy: -0.039
local terms energy: -56.537655
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -10.444
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: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -94.191045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.191045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.191045 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -32.632
Base-Backbone interact. energy: 0.246
local terms energy: -61.804858
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -92.221263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.221263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.221263 (E_RNA)
where:
Base-Base interactions energy: -41.987
where: short stacking energy: -25.066
Base-Backbone interact. energy: -0.101
local terms energy: -50.134181
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -73.030054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.030054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.030054 (E_RNA)
where:
Base-Base interactions energy: -28.261
where: short stacking energy: -22.928
Base-Backbone interact. energy: 0.896
local terms energy: -45.664382
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -84.460015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.460015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.460015 (E_RNA)
where:
Base-Base interactions energy: -39.476
where: short stacking energy: -38.924
Base-Backbone interact. energy: -0.805
local terms energy: -44.179026
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -203.820541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820541 (E_RNA)
where:
Base-Base interactions energy: -125.954
where: short stacking energy: -63.422
Base-Backbone interact. energy: -0.001
local terms energy: -77.865253
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -196.747319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.747319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.747319 (E_RNA)
where:
Base-Base interactions energy: -121.432
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.105
local terms energy: -75.210700
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -17.967
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: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -186.194792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.194792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.194792 (E_RNA)
where:
Base-Base interactions energy: -113.196
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.010
local terms energy: -72.988931
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -165.301678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.301678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.301678 (E_RNA)
where:
Base-Base interactions energy: -97.993
where: short stacking energy: -52.229
Base-Backbone interact. energy: -0.004
local terms energy: -67.304695
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -147.671310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.671310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.671310 (E_RNA)
where:
Base-Base interactions energy: -82.973
where: short stacking energy: -55.376
Base-Backbone interact. energy: -0.418
local terms energy: -64.279862
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -127.452108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.452108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.452108 (E_RNA)
where:
Base-Base interactions energy: -66.071
where: short stacking energy: -42.007
Base-Backbone interact. energy: -0.633
local terms energy: -60.747615
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -10.426
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: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -85.365227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365227 (E_RNA)
where:
Base-Base interactions energy: -33.554
where: short stacking energy: -33.554
Base-Backbone interact. energy: -0.036
local terms energy: -51.774400
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -90.451939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.451939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.451939 (E_RNA)
where:
Base-Base interactions energy: -43.705
where: short stacking energy: -35.574
Base-Backbone interact. energy: -0.058
local terms energy: -46.688212
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -6.099
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -73.703635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.703635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.703635 (E_RNA)
where:
Base-Base interactions energy: -24.025
where: short stacking energy: -21.885
Base-Backbone interact. energy: 0.093
local terms energy: -49.771736
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -6.884
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: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -76.079500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.079500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.079500 (E_RNA)
where:
Base-Base interactions energy: -24.085
where: short stacking energy: -20.579
Base-Backbone interact. energy: -0.180
local terms energy: -51.815271
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -209.946077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.946077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.946077 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -72.095
Base-Backbone interact. energy: 0.836
local terms energy: -81.665052
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -209.137182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.137182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.137182 (E_RNA)
where:
Base-Base interactions energy: -132.031
where: short stacking energy: -69.028
Base-Backbone interact. energy: -0.080
local terms energy: -77.025958
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -190.157801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.157801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.157801 (E_RNA)
where:
Base-Base interactions energy: -109.408
where: short stacking energy: -61.315
Base-Backbone interact. energy: -0.003
local terms energy: -80.746456
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -8.482
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: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -165.901739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.901739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.901739 (E_RNA)
where:
Base-Base interactions energy: -98.322
where: short stacking energy: -54.674
Base-Backbone interact. energy: -0.504
local terms energy: -67.074877
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -133.744073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.744073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.744073 (E_RNA)
where:
Base-Base interactions energy: -73.898
where: short stacking energy: -40.317
Base-Backbone interact. energy: -0.512
local terms energy: -59.334025
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -6.841
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: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -162.368812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.368812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.368812 (E_RNA)
where:
Base-Base interactions energy: -96.135
where: short stacking energy: -51.279
Base-Backbone interact. energy: -0.018
local terms energy: -66.215703
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.035
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: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -107.191169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.191169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.191169 (E_RNA)
where:
Base-Base interactions energy: -53.373
where: short stacking energy: -36.020
Base-Backbone interact. energy: -1.693
local terms energy: -52.125153
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -5.671
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: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -89.479870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.479870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.479870 (E_RNA)
where:
Base-Base interactions energy: -36.802
where: short stacking energy: -35.078
Base-Backbone interact. energy: -0.153
local terms energy: -52.525178
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -90.367511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.367511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.367511 (E_RNA)
where:
Base-Base interactions energy: -44.831
where: short stacking energy: -28.359
Base-Backbone interact. energy: -0.319
local terms energy: -45.217567
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -6.960
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -4.037
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: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -85.086061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.086061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.086061 (E_RNA)
where:
Base-Base interactions energy: -38.984
where: short stacking energy: -26.387
Base-Backbone interact. energy: -0.026
local terms energy: -46.075650
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -7.054
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -6.117
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: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -211.908185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.908185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.908185 (E_RNA)
where:
Base-Base interactions energy: -136.022
where: short stacking energy: -68.162
Base-Backbone interact. energy: -0.032
local terms energy: -75.854583
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -18.137
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: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -179.024559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.024559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.024559 (E_RNA)
where:
Base-Base interactions energy: -107.990
where: short stacking energy: -54.079
Base-Backbone interact. energy: -0.380
local terms energy: -70.654187
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -205.185460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.185460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.185460 (E_RNA)
where:
Base-Base interactions energy: -132.485
where: short stacking energy: -63.998
Base-Backbone interact. energy: -0.004
local terms energy: -72.696803
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -165.497305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.497305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.497305 (E_RNA)
where:
Base-Base interactions energy: -98.058
where: short stacking energy: -53.117
Base-Backbone interact. energy: -0.566
local terms energy: -66.872895
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -132.211535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.211535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.211535 (E_RNA)
where:
Base-Base interactions energy: -77.850
where: short stacking energy: -40.514
Base-Backbone interact. energy: -0.162
local terms energy: -54.199777
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -163.350058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.350058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.350058 (E_RNA)
where:
Base-Base interactions energy: -108.261
where: short stacking energy: -53.610
Base-Backbone interact. energy: -0.098
local terms energy: -54.990893
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -9.198
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -18.647
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: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -103.751700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.751700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.751700 (E_RNA)
where:
Base-Base interactions energy: -54.515
where: short stacking energy: -27.234
Base-Backbone interact. energy: -0.212
local terms energy: -49.025273
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -8.752
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: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -109.874620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.874620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.874620 (E_RNA)
where:
Base-Base interactions energy: -56.236
where: short stacking energy: -37.356
Base-Backbone interact. energy: 0.059
local terms energy: -53.697778
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -94.290241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.290241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.290241 (E_RNA)
where:
Base-Base interactions energy: -35.185
where: short stacking energy: -34.735
Base-Backbone interact. energy: 0.227
local terms energy: -59.332724
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -9.519
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: 297
Temperature: 1.350000
Total energy: -78.990970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.990970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.990970 (E_RNA)
where:
Base-Base interactions energy: -28.556
where: short stacking energy: -20.886
Base-Backbone interact. energy: -0.049
local terms energy: -50.385446
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: 2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -213.987646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.987646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.987646 (E_RNA)
where:
Base-Base interactions energy: -131.212
where: short stacking energy: -75.611
Base-Backbone interact. energy: -1.437
local terms energy: -81.338868
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -183.433101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.433101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.433101 (E_RNA)
where:
Base-Base interactions energy: -111.493
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.257
local terms energy: -71.683041
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -213.043880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.043880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.043880 (E_RNA)
where:
Base-Base interactions energy: -134.477
where: short stacking energy: -69.467
Base-Backbone interact. energy: -0.075
local terms energy: -78.492814
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -21.465
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: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -162.708953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.708953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.708953 (E_RNA)
where:
Base-Base interactions energy: -94.088
where: short stacking energy: -49.430
Base-Backbone interact. energy: -0.117
local terms energy: -68.504449
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -10.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -150.798781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.798781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.798781 (E_RNA)
where:
Base-Base interactions energy: -93.308
where: short stacking energy: -47.268
Base-Backbone interact. energy: -0.155
local terms energy: -57.335852
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -97.863689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.863689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.863689 (E_RNA)
where:
Base-Base interactions energy: -48.223
where: short stacking energy: -20.865
Base-Backbone interact. energy: -0.138
local terms energy: -49.502550
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -95.091774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.091774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.091774 (E_RNA)
where:
Base-Base interactions energy: -40.701
where: short stacking energy: -31.353
Base-Backbone interact. energy: 1.095
local terms energy: -55.485870
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -102.074290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.074290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.074290 (E_RNA)
where:
Base-Base interactions energy: -53.292
where: short stacking energy: -36.333
Base-Backbone interact. energy: -0.286
local terms energy: -48.496601
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -93.698728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.698728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.698728 (E_RNA)
where:
Base-Base interactions energy: -40.206
where: short stacking energy: -31.872
Base-Backbone interact. energy: 0.062
local terms energy: -53.554471
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -76.411985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.411985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.411985 (E_RNA)
where:
Base-Base interactions energy: -25.415
where: short stacking energy: -22.170
Base-Backbone interact. energy: -0.099
local terms energy: -50.897243
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -206.987845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.987845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.987845 (E_RNA)
where:
Base-Base interactions energy: -133.458
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.025
local terms energy: -73.504974
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -9.268
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: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -208.907360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.907360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.907360 (E_RNA)
where:
Base-Base interactions energy: -127.214
where: short stacking energy: -73.945
Base-Backbone interact. energy: -1.994
local terms energy: -79.698994
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -205.602038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.602038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.602038 (E_RNA)
where:
Base-Base interactions energy: -131.703
where: short stacking energy: -59.085
Base-Backbone interact. energy: 0.243
local terms energy: -74.142130
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -174.958180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.958180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.958180 (E_RNA)
where:
Base-Base interactions energy: -114.026
where: short stacking energy: -60.121
Base-Backbone interact. energy: -0.567
local terms energy: -60.365381
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -13.054
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: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -175.448956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.448956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.448956 (E_RNA)
where:
Base-Base interactions energy: -104.118
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.271
local terms energy: -71.059591
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -101.490616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.490616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.490616 (E_RNA)
where:
Base-Base interactions energy: -42.408
where: short stacking energy: -42.099
Base-Backbone interact. energy: -0.150
local terms energy: -58.932734
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.246
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: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -94.230737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.230737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.230737 (E_RNA)
where:
Base-Base interactions energy: -38.730
where: short stacking energy: -36.145
Base-Backbone interact. energy: -0.186
local terms energy: -55.315262
where:
bonds (distance) C4'-P energy: -7.965
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -94.057237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.057237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.057237 (E_RNA)
where:
Base-Base interactions energy: -36.942
where: short stacking energy: -25.630
Base-Backbone interact. energy: -0.296
local terms energy: -56.819544
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -87.458373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458373 (E_RNA)
where:
Base-Base interactions energy: -28.929
where: short stacking energy: -27.448
Base-Backbone interact. energy: -1.931
local terms energy: -56.597979
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -72.170864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.170864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.170864 (E_RNA)
where:
Base-Base interactions energy: -24.024
where: short stacking energy: -24.123
Base-Backbone interact. energy: 1.021
local terms energy: -49.167513
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -211.360664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.360664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.360664 (E_RNA)
where:
Base-Base interactions energy: -132.655
where: short stacking energy: -66.044
Base-Backbone interact. energy: -0.000
local terms energy: -78.705207
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -22.668
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: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -199.460246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.460246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.460246 (E_RNA)
where:
Base-Base interactions energy: -129.551
where: short stacking energy: -70.983
Base-Backbone interact. energy: -0.005
local terms energy: -69.904482
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -195.374711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.374711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.374711 (E_RNA)
where:
Base-Base interactions energy: -125.709
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.084
local terms energy: -69.581785
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -200.619620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.619620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.619620 (E_RNA)
where:
Base-Base interactions energy: -133.495
where: short stacking energy: -65.883
Base-Backbone interact. energy: -1.442
local terms energy: -65.682760
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -166.902807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.902807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.902807 (E_RNA)
where:
Base-Base interactions energy: -104.265
where: short stacking energy: -48.572
Base-Backbone interact. energy: -0.147
local terms energy: -62.490325
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -101.829257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.829257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.829257 (E_RNA)
where:
Base-Base interactions energy: -39.784
where: short stacking energy: -36.192
Base-Backbone interact. energy: -0.179
local terms energy: -61.866151
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -90.538502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.538502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.538502 (E_RNA)
where:
Base-Base interactions energy: -41.935
where: short stacking energy: -31.845
Base-Backbone interact. energy: 0.040
local terms energy: -48.643383
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -81.601952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.601952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.601952 (E_RNA)
where:
Base-Base interactions energy: -24.810
where: short stacking energy: -24.810
Base-Backbone interact. energy: -0.172
local terms energy: -56.619493
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -4.229
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: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -91.252177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.252177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.252177 (E_RNA)
where:
Base-Base interactions energy: -32.487
where: short stacking energy: -26.466
Base-Backbone interact. energy: 1.189
local terms energy: -59.954481
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -81.393040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.393040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.393040 (E_RNA)
where:
Base-Base interactions energy: -33.031
where: short stacking energy: -30.932
Base-Backbone interact. energy: -0.122
local terms energy: -48.239992
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -2.147
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: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -196.492255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.492255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.492255 (E_RNA)
where:
Base-Base interactions energy: -125.778
where: short stacking energy: -57.058
Base-Backbone interact. energy: -0.113
local terms energy: -70.600888
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -17.683
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: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -210.587368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.587368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.587368 (E_RNA)
where:
Base-Base interactions energy: -135.877
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.529
local terms energy: -74.181527
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -181.816335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.816335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.816335 (E_RNA)
where:
Base-Base interactions energy: -117.748
where: short stacking energy: -70.106
Base-Backbone interact. energy: -0.037
local terms energy: -64.031145
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -199.606579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.606579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.606579 (E_RNA)
where:
Base-Base interactions energy: -130.971
where: short stacking energy: -57.618
Base-Backbone interact. energy: 0.761
local terms energy: -69.396374
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -155.038516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.038516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.038516 (E_RNA)
where:
Base-Base interactions energy: -90.337
where: short stacking energy: -54.659
Base-Backbone interact. energy: 0.582
local terms energy: -65.283816
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -100.301484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.301484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.301484 (E_RNA)
where:
Base-Base interactions energy: -42.774
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.156
local terms energy: -57.371886
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -5.194
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: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -86.582604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.582604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.582604 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -30.715
Base-Backbone interact. energy: 1.013
local terms energy: -54.282026
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -87.643140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.643140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.643140 (E_RNA)
where:
Base-Base interactions energy: -36.322
where: short stacking energy: -30.255
Base-Backbone interact. energy: -0.799
local terms energy: -50.522193
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -6.280
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -82.155235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.155235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.155235 (E_RNA)
where:
Base-Base interactions energy: -30.170
where: short stacking energy: -30.170
Base-Backbone interact. energy: -0.052
local terms energy: -51.933226
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -85.389358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.389358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.389358 (E_RNA)
where:
Base-Base interactions energy: -36.774
where: short stacking energy: -33.788
Base-Backbone interact. energy: -0.564
local terms energy: -48.051617
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -210.760165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.760165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.760165 (E_RNA)
where:
Base-Base interactions energy: -135.640
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.117
local terms energy: -75.003092
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -13.178
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: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -205.317398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.317398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.317398 (E_RNA)
where:
Base-Base interactions energy: -135.422
where: short stacking energy: -67.591
Base-Backbone interact. energy: -0.077
local terms energy: -69.818299
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -215.033520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.033520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.033520 (E_RNA)
where:
Base-Base interactions energy: -133.779
where: short stacking energy: -68.915
Base-Backbone interact. energy: -0.111
local terms energy: -81.143282
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -7.760
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: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -173.949670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.949670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.949670 (E_RNA)
where:
Base-Base interactions energy: -111.135
where: short stacking energy: -52.739
Base-Backbone interact. energy: -0.337
local terms energy: -62.477741
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -7.008
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: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -146.648057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.648057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.648057 (E_RNA)
where:
Base-Base interactions energy: -88.611
where: short stacking energy: -46.561
Base-Backbone interact. energy: 0.134
local terms energy: -58.170950
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -10.932
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: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -100.283549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.283549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.283549 (E_RNA)
where:
Base-Base interactions energy: -44.176
where: short stacking energy: -44.176
Base-Backbone interact. energy: -0.006
local terms energy: -56.101660
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -129.894331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.894331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.894331 (E_RNA)
where:
Base-Base interactions energy: -71.169
where: short stacking energy: -42.822
Base-Backbone interact. energy: -0.168
local terms energy: -58.557093
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -8.214
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: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -89.314404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.314404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.314404 (E_RNA)
where:
Base-Base interactions energy: -38.870
where: short stacking energy: -27.041
Base-Backbone interact. energy: -0.326
local terms energy: -50.118566
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -82.390452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.390452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.390452 (E_RNA)
where:
Base-Base interactions energy: -44.231
where: short stacking energy: -26.595
Base-Backbone interact. energy: -0.240
local terms energy: -37.919496
where:
bonds (distance) C4'-P energy: -3.820
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -78.145675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.145675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.145675 (E_RNA)
where:
Base-Base interactions energy: -27.374
where: short stacking energy: -27.336
Base-Backbone interact. energy: -0.095
local terms energy: -50.676660
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -212.421044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.421044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.421044 (E_RNA)
where:
Base-Base interactions energy: -137.318
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.077
local terms energy: -75.025792
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -217.520024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.520024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.520024 (E_RNA)
where:
Base-Base interactions energy: -136.707
where: short stacking energy: -75.752
Base-Backbone interact. energy: -0.017
local terms energy: -80.796049
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -210.009580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.009580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.009580 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -71.249
Base-Backbone interact. energy: -0.340
local terms energy: -78.160262
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -186.171647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.171647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.171647 (E_RNA)
where:
Base-Base interactions energy: -115.956
where: short stacking energy: -60.883
Base-Backbone interact. energy: -0.126
local terms energy: -70.089593
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -17.016
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: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -155.802011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.802011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.802011 (E_RNA)
where:
Base-Base interactions energy: -95.176
where: short stacking energy: -49.562
Base-Backbone interact. energy: -1.569
local terms energy: -59.057217
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -96.694712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.694712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.694712 (E_RNA)
where:
Base-Base interactions energy: -32.378
where: short stacking energy: -32.378
Base-Backbone interact. energy: -0.002
local terms energy: -64.314433
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.988
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: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -123.774888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.774888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.774888 (E_RNA)
where:
Base-Base interactions energy: -69.929
where: short stacking energy: -51.207
Base-Backbone interact. energy: -0.107
local terms energy: -53.739026
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -87.269345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.269345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.269345 (E_RNA)
where:
Base-Base interactions energy: -35.030
where: short stacking energy: -31.482
Base-Backbone interact. energy: 0.314
local terms energy: -52.554026
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -2.409
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: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -88.411277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.411277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.411277 (E_RNA)
where:
Base-Base interactions energy: -41.217
where: short stacking energy: -35.043
Base-Backbone interact. energy: 0.677
local terms energy: -47.871797
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: 2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -72.005092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.005092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.005092 (E_RNA)
where:
Base-Base interactions energy: -23.165
where: short stacking energy: -13.281
Base-Backbone interact. energy: -0.409
local terms energy: -48.431564
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: 0.899
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: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -222.467041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.467041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.467041 (E_RNA)
where:
Base-Base interactions energy: -144.571
where: short stacking energy: -74.416
Base-Backbone interact. energy: -0.024
local terms energy: -77.871882
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -22.877
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: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -210.547067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.547067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.547067 (E_RNA)
where:
Base-Base interactions energy: -139.986
where: short stacking energy: -66.509
Base-Backbone interact. energy: -0.300
local terms energy: -70.261468
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -183.872527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.872527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.872527 (E_RNA)
where:
Base-Base interactions energy: -122.215
where: short stacking energy: -65.840
Base-Backbone interact. energy: -0.066
local terms energy: -61.591633
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -7.213
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: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -206.059630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.059630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.059630 (E_RNA)
where:
Base-Base interactions energy: -131.869
where: short stacking energy: -68.739
Base-Backbone interact. energy: -1.374
local terms energy: -72.816899
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -21.110
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: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -152.539532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.539532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.539532 (E_RNA)
where:
Base-Base interactions energy: -96.177
where: short stacking energy: -40.973
Base-Backbone interact. energy: -0.191
local terms energy: -56.171620
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -98.936555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.936555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.936555 (E_RNA)
where:
Base-Base interactions energy: -39.567
where: short stacking energy: -38.935
Base-Backbone interact. energy: -0.029
local terms energy: -59.340068
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -9.718
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: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -91.802755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.802755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.802755 (E_RNA)
where:
Base-Base interactions energy: -43.316
where: short stacking energy: -31.883
Base-Backbone interact. energy: 0.291
local terms energy: -48.777794
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: 1.299
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: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -101.002138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.002138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.002138 (E_RNA)
where:
Base-Base interactions energy: -45.465
where: short stacking energy: -40.675
Base-Backbone interact. energy: -0.671
local terms energy: -54.866061
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -8.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -87.503672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.503672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.503672 (E_RNA)
where:
Base-Base interactions energy: -33.430
where: short stacking energy: -29.464
Base-Backbone interact. energy: -0.005
local terms energy: -54.069001
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -86.280654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.280654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.280654 (E_RNA)
where:
Base-Base interactions energy: -43.209
where: short stacking energy: -25.496
Base-Backbone interact. energy: -0.159
local terms energy: -42.912724
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -8.175
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -224.999385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.999385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.999385 (E_RNA)
where:
Base-Base interactions energy: -140.686
where: short stacking energy: -74.562
Base-Backbone interact. energy: -0.045
local terms energy: -84.267833
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -209.473130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.473130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.473130 (E_RNA)
where:
Base-Base interactions energy: -136.274
where: short stacking energy: -65.331
Base-Backbone interact. energy: 0.268
local terms energy: -73.467514
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -195.708176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.708176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.708176 (E_RNA)
where:
Base-Base interactions energy: -119.624
where: short stacking energy: -68.360
Base-Backbone interact. energy: -0.332
local terms energy: -75.751973
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -188.679711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.679711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.679711 (E_RNA)
where:
Base-Base interactions energy: -117.492
where: short stacking energy: -48.664
Base-Backbone interact. energy: -0.003
local terms energy: -71.185011
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -10.504
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: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -156.040770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.040770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.040770 (E_RNA)
where:
Base-Base interactions energy: -99.182
where: short stacking energy: -57.469
Base-Backbone interact. energy: -0.137
local terms energy: -56.721602
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -102.456359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.456359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.456359 (E_RNA)
where:
Base-Base interactions energy: -42.643
where: short stacking energy: -42.643
Base-Backbone interact. energy: -0.002
local terms energy: -59.810655
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -97.462152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.462152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.462152 (E_RNA)
where:
Base-Base interactions energy: -50.911
where: short stacking energy: -38.160
Base-Backbone interact. energy: -0.193
local terms energy: -46.358884
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -79.306341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.306341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.306341 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -35.072
Base-Backbone interact. energy: 0.064
local terms energy: -44.283634
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -10.150
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: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -82.281889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.281889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.281889 (E_RNA)
where:
Base-Base interactions energy: -29.579
where: short stacking energy: -26.941
Base-Backbone interact. energy: 0.096
local terms energy: -52.798719
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -81.125270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.125270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.125270 (E_RNA)
where:
Base-Base interactions energy: -40.150
where: short stacking energy: -40.150
Base-Backbone interact. energy: -0.102
local terms energy: -40.873309
where:
bonds (distance) C4'-P energy: -5.703
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -211.130445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.130445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.130445 (E_RNA)
where:
Base-Base interactions energy: -139.804
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.305
local terms energy: -71.021320
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -217.726782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.726782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.726782 (E_RNA)
where:
Base-Base interactions energy: -142.718
where: short stacking energy: -72.271
Base-Backbone interact. energy: -0.452
local terms energy: -74.556784
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -199.049307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.049307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.049307 (E_RNA)
where:
Base-Base interactions energy: -122.794
where: short stacking energy: -63.134
Base-Backbone interact. energy: -0.039
local terms energy: -76.215978
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -187.181530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.181530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.181530 (E_RNA)
where:
Base-Base interactions energy: -120.703
where: short stacking energy: -64.294
Base-Backbone interact. energy: -0.218
local terms energy: -66.260158
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -100.709790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.709790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.709790 (E_RNA)
where:
Base-Base interactions energy: -41.781
where: short stacking energy: -37.869
Base-Backbone interact. energy: -0.222
local terms energy: -58.707219
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -8.466
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: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -159.152563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.152563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.152563 (E_RNA)
where:
Base-Base interactions energy: -92.491
where: short stacking energy: -49.457
Base-Backbone interact. energy: -0.021
local terms energy: -66.640341
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -89.646518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646518 (E_RNA)
where:
Base-Base interactions energy: -39.724
where: short stacking energy: -15.325
Base-Backbone interact. energy: -0.344
local terms energy: -49.577838
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -95.192866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.192866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.192866 (E_RNA)
where:
Base-Base interactions energy: -47.554
where: short stacking energy: -24.861
Base-Backbone interact. energy: -0.190
local terms energy: -47.449284
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -83.933816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.933816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.933816 (E_RNA)
where:
Base-Base interactions energy: -24.551
where: short stacking energy: -21.312
Base-Backbone interact. energy: -0.688
local terms energy: -58.694270
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -80.347165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.347165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.347165 (E_RNA)
where:
Base-Base interactions energy: -39.193
where: short stacking energy: -26.391
Base-Backbone interact. energy: -0.141
local terms energy: -41.012838
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -212.932150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.932150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.932150 (E_RNA)
where:
Base-Base interactions energy: -138.705
where: short stacking energy: -70.599
Base-Backbone interact. energy: -0.198
local terms energy: -74.028421
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -220.069373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.069373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.069373 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -70.160
Base-Backbone interact. energy: -0.082
local terms energy: -77.249291
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -198.192224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.192224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.192224 (E_RNA)
where:
Base-Base interactions energy: -126.011
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.278
local terms energy: -71.902463
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -169.770966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.770966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.770966 (E_RNA)
where:
Base-Base interactions energy: -98.987
where: short stacking energy: -56.198
Base-Backbone interact. energy: 0.282
local terms energy: -71.066696
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -11.736
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: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -105.570536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.570536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.570536 (E_RNA)
where:
Base-Base interactions energy: -46.419
where: short stacking energy: -43.054
Base-Backbone interact. energy: -1.202
local terms energy: -57.949481
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -163.808045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.808045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.808045 (E_RNA)
where:
Base-Base interactions energy: -103.272
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.063
local terms energy: -60.472735
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -96.743562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.743562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.743562 (E_RNA)
where:
Base-Base interactions energy: -48.517
where: short stacking energy: -48.517
Base-Backbone interact. energy: -0.217
local terms energy: -48.009229
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -95.211327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.211327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.211327 (E_RNA)
where:
Base-Base interactions energy: -39.679
where: short stacking energy: -34.562
Base-Backbone interact. energy: -1.185
local terms energy: -54.347200
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -6.937
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -75.814502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.814502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.814502 (E_RNA)
where:
Base-Base interactions energy: -27.870
where: short stacking energy: -27.870
Base-Backbone interact. energy: -0.145
local terms energy: -47.799195
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -9.166
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: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -72.997363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.997363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.997363 (E_RNA)
where:
Base-Base interactions energy: -32.067
where: short stacking energy: -32.020
Base-Backbone interact. energy: -0.219
local terms energy: -40.711083
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -223.478474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.478474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.478474 (E_RNA)
where:
Base-Base interactions energy: -142.626
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.649
local terms energy: -80.203099
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -208.080634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.080634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.080634 (E_RNA)
where:
Base-Base interactions energy: -135.164
where: short stacking energy: -64.476
Base-Backbone interact. energy: -1.106
local terms energy: -71.810211
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -199.752145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.752145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.752145 (E_RNA)
where:
Base-Base interactions energy: -118.721
where: short stacking energy: -69.730
Base-Backbone interact. energy: -0.000
local terms energy: -81.030620
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -164.394985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.394985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.394985 (E_RNA)
where:
Base-Base interactions energy: -94.869
where: short stacking energy: -49.217
Base-Backbone interact. energy: 0.515
local terms energy: -70.041185
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -180.376552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.376552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.376552 (E_RNA)
where:
Base-Base interactions energy: -108.746
where: short stacking energy: -56.687
Base-Backbone interact. energy: -0.503
local terms energy: -71.127043
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -98.935066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.935066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.935066 (E_RNA)
where:
Base-Base interactions energy: -50.425
where: short stacking energy: -30.013
Base-Backbone interact. energy: 1.780
local terms energy: -50.290455
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -9.603
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: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -98.502222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.502222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.502222 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -33.331
Base-Backbone interact. energy: -0.384
local terms energy: -60.806484
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -8.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -91.460816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.460816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.460816 (E_RNA)
where:
Base-Base interactions energy: -44.945
where: short stacking energy: -28.909
Base-Backbone interact. energy: 0.410
local terms energy: -46.925759
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -79.458201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.458201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.458201 (E_RNA)
where:
Base-Base interactions energy: -29.514
where: short stacking energy: -25.213
Base-Backbone interact. energy: 2.448
local terms energy: -52.392538
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -2.065
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: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -89.717527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.717527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.717527 (E_RNA)
where:
Base-Base interactions energy: -37.127
where: short stacking energy: -36.177
Base-Backbone interact. energy: -0.580
local terms energy: -52.009820
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -3.404
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: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -222.863625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.863625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.863625 (E_RNA)
where:
Base-Base interactions energy: -143.467
where: short stacking energy: -74.597
Base-Backbone interact. energy: -0.035
local terms energy: -79.362439
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -206.510432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.510432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.510432 (E_RNA)
where:
Base-Base interactions energy: -133.952
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.105
local terms energy: -72.453597
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -201.344117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.344117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.344117 (E_RNA)
where:
Base-Base interactions energy: -131.319
where: short stacking energy: -50.627
Base-Backbone interact. energy: -0.380
local terms energy: -69.645658
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -160.495153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.495153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.495153 (E_RNA)
where:
Base-Base interactions energy: -94.310
where: short stacking energy: -58.639
Base-Backbone interact. energy: -0.011
local terms energy: -66.174656
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -13.504
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: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -150.954369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.954369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.954369 (E_RNA)
where:
Base-Base interactions energy: -97.115
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.312
local terms energy: -53.527880
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -98.398039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.398039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.398039 (E_RNA)
where:
Base-Base interactions energy: -43.270
where: short stacking energy: -39.394
Base-Backbone interact. energy: -0.041
local terms energy: -55.087167
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -6.785
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: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -108.574167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.574167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.574167 (E_RNA)
where:
Base-Base interactions energy: -50.719
where: short stacking energy: -42.251
Base-Backbone interact. energy: -0.132
local terms energy: -57.722883
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -7.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -88.129307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.129307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.129307 (E_RNA)
where:
Base-Base interactions energy: -39.876
where: short stacking energy: -20.846
Base-Backbone interact. energy: -0.643
local terms energy: -47.610113
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -84.733530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.733530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.733530 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -26.812
Base-Backbone interact. energy: -0.155
local terms energy: -48.898306
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -71.276033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.276033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.276033 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -22.474
Base-Backbone interact. energy: -0.595
local terms energy: -35.721723
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -6.372
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: 1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -223.651708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.651708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.651708 (E_RNA)
where:
Base-Base interactions energy: -138.912
where: short stacking energy: -75.273
Base-Backbone interact. energy: -0.011
local terms energy: -84.728801
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -203.007961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.007961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.007961 (E_RNA)
where:
Base-Base interactions energy: -130.919
where: short stacking energy: -60.512
Base-Backbone interact. energy: -0.156
local terms energy: -71.933235
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -188.322191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.322191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.322191 (E_RNA)
where:
Base-Base interactions energy: -116.978
where: short stacking energy: -57.937
Base-Backbone interact. energy: -0.469
local terms energy: -70.874763
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -178.531604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.531604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.531604 (E_RNA)
where:
Base-Base interactions energy: -112.990
where: short stacking energy: -64.060
Base-Backbone interact. energy: -0.069
local terms energy: -65.472324
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -18.130
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: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -156.730731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.730731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.730731 (E_RNA)
where:
Base-Base interactions energy: -95.691
where: short stacking energy: -49.044
Base-Backbone interact. energy: -0.296
local terms energy: -60.742752
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -11.520
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: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -96.129737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.129737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.129737 (E_RNA)
where:
Base-Base interactions energy: -48.477
where: short stacking energy: -33.096
Base-Backbone interact. energy: 1.238
local terms energy: -48.890459
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -8.573
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -86.557860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.557860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.557860 (E_RNA)
where:
Base-Base interactions energy: -45.015
where: short stacking energy: -45.015
Base-Backbone interact. energy: -0.174
local terms energy: -41.369092
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -3.493
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -89.043768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.043768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.043768 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -33.284
Base-Backbone interact. energy: -0.124
local terms energy: -55.534171
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -8.017
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: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -81.311977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.311977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.311977 (E_RNA)
where:
Base-Base interactions energy: -33.389
where: short stacking energy: -26.312
Base-Backbone interact. energy: -0.149
local terms energy: -47.774316
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -81.436692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.436692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.436692 (E_RNA)
where:
Base-Base interactions energy: -34.070
where: short stacking energy: -28.694
Base-Backbone interact. energy: -0.395
local terms energy: -46.972302
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -8.164
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -4.563
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: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -219.865133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.865133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.865133 (E_RNA)
where:
Base-Base interactions energy: -141.076
where: short stacking energy: -76.620
Base-Backbone interact. energy: -0.031
local terms energy: -78.758510
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -204.179910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.179910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.179910 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -59.487
Base-Backbone interact. energy: -0.479
local terms energy: -67.412713
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -182.123238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.123238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.123238 (E_RNA)
where:
Base-Base interactions energy: -120.326
where: short stacking energy: -50.747
Base-Backbone interact. energy: 0.235
local terms energy: -62.032701
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -6.274
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: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -182.470855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.470855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.470855 (E_RNA)
where:
Base-Base interactions energy: -107.988
where: short stacking energy: -63.471
Base-Backbone interact. energy: -0.001
local terms energy: -74.481146
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -159.079710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.079710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.079710 (E_RNA)
where:
Base-Base interactions energy: -96.112
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.147
local terms energy: -62.821247
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -11.482
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: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -104.025474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.025474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.025474 (E_RNA)
where:
Base-Base interactions energy: -42.979
where: short stacking energy: -39.637
Base-Backbone interact. energy: -1.560
local terms energy: -59.486902
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -100.582554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.582554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.582554 (E_RNA)
where:
Base-Base interactions energy: -59.964
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.170
local terms energy: -40.449239
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -6.134
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: 1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -87.107088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.107088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.107088 (E_RNA)
where:
Base-Base interactions energy: -34.891
where: short stacking energy: -33.007
Base-Backbone interact. energy: -0.114
local terms energy: -52.101851
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -75.538557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.538557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.538557 (E_RNA)
where:
Base-Base interactions energy: -31.777
where: short stacking energy: -28.212
Base-Backbone interact. energy: -0.632
local terms energy: -43.129692
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -1.471
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -83.894893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.894893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.894893 (E_RNA)
where:
Base-Base interactions energy: -38.607
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.219
local terms energy: -45.068916
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -2.995
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: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -221.287927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.287927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.287927 (E_RNA)
where:
Base-Base interactions energy: -140.238
where: short stacking energy: -74.280
Base-Backbone interact. energy: -1.636
local terms energy: -79.413989
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -20.593
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: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -198.622000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.622000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.622000 (E_RNA)
where:
Base-Base interactions energy: -127.026
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.726
local terms energy: -70.870038
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -165.346610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.346610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.346610 (E_RNA)
where:
Base-Base interactions energy: -100.965
where: short stacking energy: -45.034
Base-Backbone interact. energy: 0.417
local terms energy: -64.799100
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -181.228404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.228404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.228404 (E_RNA)
where:
Base-Base interactions energy: -117.912
where: short stacking energy: -58.612
Base-Backbone interact. energy: 1.123
local terms energy: -64.438693
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -159.599730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.599730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.599730 (E_RNA)
where:
Base-Base interactions energy: -91.677
where: short stacking energy: -49.535
Base-Backbone interact. energy: 1.203
local terms energy: -69.125705
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -13.636
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: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -97.002853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.002853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.002853 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -42.544
Base-Backbone interact. energy: -0.253
local terms energy: -54.206411
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -88.129324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.129324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.129324 (E_RNA)
where:
Base-Base interactions energy: -43.112
where: short stacking energy: -32.851
Base-Backbone interact. energy: -1.505
local terms energy: -43.511848
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -2.977
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -86.418429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.418429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.418429 (E_RNA)
where:
Base-Base interactions energy: -44.419
where: short stacking energy: -25.265
Base-Backbone interact. energy: -0.041
local terms energy: -41.957929
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -7.446
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -80.652478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.652478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.652478 (E_RNA)
where:
Base-Base interactions energy: -30.506
where: short stacking energy: -27.847
Base-Backbone interact. energy: 0.807
local terms energy: -50.953197
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -9.388
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: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -74.654658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.654658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.654658 (E_RNA)
where:
Base-Base interactions energy: -25.636
where: short stacking energy: -21.698
Base-Backbone interact. energy: -0.320
local terms energy: -48.699191
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -0.929
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: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -224.383270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.383270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.383270 (E_RNA)
where:
Base-Base interactions energy: -141.244
where: short stacking energy: -72.886
Base-Backbone interact. energy: -2.601
local terms energy: -80.538181
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -22.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -209.019648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.019648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.019648 (E_RNA)
where:
Base-Base interactions energy: -140.729
where: short stacking energy: -48.199
Base-Backbone interact. energy: -0.332
local terms energy: -67.959474
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -155.508798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.508798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.508798 (E_RNA)
where:
Base-Base interactions energy: -98.556
where: short stacking energy: -50.018
Base-Backbone interact. energy: -0.018
local terms energy: -56.934507
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -178.753457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.753457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.753457 (E_RNA)
where:
Base-Base interactions energy: -106.343
where: short stacking energy: -54.223
Base-Backbone interact. energy: -0.070
local terms energy: -72.340993
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -173.671106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.671106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.671106 (E_RNA)
where:
Base-Base interactions energy: -102.845
where: short stacking energy: -67.233
Base-Backbone interact. energy: -0.029
local terms energy: -70.797792
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -93.792209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.792209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.792209 (E_RNA)
where:
Base-Base interactions energy: -38.000
where: short stacking energy: -36.240
Base-Backbone interact. energy: 0.073
local terms energy: -55.865496
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -90.389671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.389671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.389671 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -27.606
Base-Backbone interact. energy: -0.030
local terms energy: -54.792205
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -93.597093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.597093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.597093 (E_RNA)
where:
Base-Base interactions energy: -34.351
where: short stacking energy: -34.351
Base-Backbone interact. energy: -0.007
local terms energy: -59.238880
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -6.793
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: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -80.781790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.781790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.781790 (E_RNA)
where:
Base-Base interactions energy: -33.106
where: short stacking energy: -31.420
Base-Backbone interact. energy: -0.011
local terms energy: -47.664905
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -5.533
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: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -90.603201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.603201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.603201 (E_RNA)
where:
Base-Base interactions energy: -51.144
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.003
local terms energy: -39.455635
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -8.021
flat angles C4'-P-C4' energy: -6.462
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -215.621153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.621153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.621153 (E_RNA)
where:
Base-Base interactions energy: -145.962
where: short stacking energy: -55.581
Base-Backbone interact. energy: -0.545
local terms energy: -69.113795
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -14.175
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -213.218728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.218728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.218728 (E_RNA)
where:
Base-Base interactions energy: -140.263
where: short stacking energy: -74.073
Base-Backbone interact. energy: 0.560
local terms energy: -73.515609
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -17.932
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: 314
Temperature: 1.000000
Total energy: -180.664836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.664836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.664836 (E_RNA)
where:
Base-Base interactions energy: -122.312
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.012
local terms energy: -58.341164
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -7.721
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -12.926
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: 314
Temperature: 1.050000
Total energy: -170.850488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.850488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.850488 (E_RNA)
where:
Base-Base interactions energy: -111.708
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.078
local terms energy: -59.064451
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -196.061039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.061039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.061039 (E_RNA)
where:
Base-Base interactions energy: -122.602
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.006
local terms energy: -73.452881
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -18.340
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: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -89.203644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.203644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.203644 (E_RNA)
where:
Base-Base interactions energy: -40.314
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.121
local terms energy: -48.768498
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -3.570
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: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -114.836920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.836920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.836920 (E_RNA)
where:
Base-Base interactions energy: -52.381
where: short stacking energy: -38.895
Base-Backbone interact. energy: -0.142
local terms energy: -62.313847
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -78.598367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.598367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.598367 (E_RNA)
where:
Base-Base interactions energy: -28.018
where: short stacking energy: -28.018
Base-Backbone interact. energy: 0.158
local terms energy: -50.738887
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -73.216832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.216832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.216832 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.153
local terms energy: -42.168012
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: 5.747
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -92.106839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.106839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.106839 (E_RNA)
where:
Base-Base interactions energy: -37.545
where: short stacking energy: -37.545
Base-Backbone interact. energy: -0.075
local terms energy: -54.486507
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -217.758429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.758429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.758429 (E_RNA)
where:
Base-Base interactions energy: -140.338
where: short stacking energy: -54.178
Base-Backbone interact. energy: -0.262
local terms energy: -77.158598
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -208.574256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.574256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.574256 (E_RNA)
where:
Base-Base interactions energy: -135.792
where: short stacking energy: -72.098
Base-Backbone interact. energy: -0.001
local terms energy: -72.781203
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -190.108580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.108580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.108580 (E_RNA)
where:
Base-Base interactions energy: -124.383
where: short stacking energy: -65.552
Base-Backbone interact. energy: -0.008
local terms energy: -65.716631
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.486
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: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -168.696400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.696400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.696400 (E_RNA)
where:
Base-Base interactions energy: -103.565
where: short stacking energy: -50.576
Base-Backbone interact. energy: 0.094
local terms energy: -65.224730
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -15.799
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: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -172.922183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.922183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.922183 (E_RNA)
where:
Base-Base interactions energy: -106.087
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.047
local terms energy: -66.787458
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -86.913835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.913835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.913835 (E_RNA)
where:
Base-Base interactions energy: -38.641
where: short stacking energy: -34.405
Base-Backbone interact. energy: -0.065
local terms energy: -48.207687
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -92.213954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.213954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.213954 (E_RNA)
where:
Base-Base interactions energy: -39.289
where: short stacking energy: -37.213
Base-Backbone interact. energy: 2.401
local terms energy: -55.326251
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -97.960882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.960882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.960882 (E_RNA)
where:
Base-Base interactions energy: -47.072
where: short stacking energy: -30.654
Base-Backbone interact. energy: -0.120
local terms energy: -50.769625
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -92.231087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.231087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.231087 (E_RNA)
where:
Base-Base interactions energy: -44.764
where: short stacking energy: -44.709
Base-Backbone interact. energy: -0.211
local terms energy: -47.255514
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.804
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: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -75.771821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.771821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.771821 (E_RNA)
where:
Base-Base interactions energy: -26.850
where: short stacking energy: -27.363
Base-Backbone interact. energy: -1.148
local terms energy: -47.773904
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -7.812
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: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -227.196581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.196581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.196581 (E_RNA)
where:
Base-Base interactions energy: -151.458
where: short stacking energy: -71.697
Base-Backbone interact. energy: -0.000
local terms energy: -75.738209
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -212.675976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.675976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.675976 (E_RNA)
where:
Base-Base interactions energy: -140.991
where: short stacking energy: -61.410
Base-Backbone interact. energy: -0.376
local terms energy: -71.309358
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -15.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -187.587104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.587104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.587104 (E_RNA)
where:
Base-Base interactions energy: -125.709
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.885
local terms energy: -60.992882
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -176.638868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.638868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.638868 (E_RNA)
where:
Base-Base interactions energy: -101.256
where: short stacking energy: -58.894
Base-Backbone interact. energy: -0.968
local terms energy: -74.415282
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -168.399178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.399178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.399178 (E_RNA)
where:
Base-Base interactions energy: -107.624
where: short stacking energy: -55.715
Base-Backbone interact. energy: -0.012
local terms energy: -60.762753
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -10.004
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: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -101.531956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.531956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.531956 (E_RNA)
where:
Base-Base interactions energy: -46.369
where: short stacking energy: -35.727
Base-Backbone interact. energy: -0.069
local terms energy: -55.093912
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -94.977200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.977200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.977200 (E_RNA)
where:
Base-Base interactions energy: -40.759
where: short stacking energy: -40.759
Base-Backbone interact. energy: 0.555
local terms energy: -54.772685
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -105.549307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.549307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.549307 (E_RNA)
where:
Base-Base interactions energy: -54.770
where: short stacking energy: -19.049
Base-Backbone interact. energy: -0.429
local terms energy: -50.350159
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -0.671
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: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -86.749237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.749237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.749237 (E_RNA)
where:
Base-Base interactions energy: -33.207
where: short stacking energy: -33.009
Base-Backbone interact. energy: -0.118
local terms energy: -53.424599
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -8.167
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: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -75.062495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.062495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.062495 (E_RNA)
where:
Base-Base interactions energy: -32.893
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.045
local terms energy: -42.123987
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -3.765
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: 317
Temperature: 0.900000
Total energy: -211.645888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.645888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.645888 (E_RNA)
where:
Base-Base interactions energy: -140.469
where: short stacking energy: -59.268
Base-Backbone interact. energy: -0.014
local terms energy: -71.163251
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -189.262035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.262035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.262035 (E_RNA)
where:
Base-Base interactions energy: -118.273
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.192
local terms energy: -70.796504
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -200.349835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.349835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.349835 (E_RNA)
where:
Base-Base interactions energy: -137.661
where: short stacking energy: -58.984
Base-Backbone interact. energy: -0.040
local terms energy: -62.649545
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -167.037485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.037485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.037485 (E_RNA)
where:
Base-Base interactions energy: -100.485
where: short stacking energy: -56.257
Base-Backbone interact. energy: -0.054
local terms energy: -66.498399
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -174.536108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.536108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.536108 (E_RNA)
where:
Base-Base interactions energy: -108.766
where: short stacking energy: -53.348
Base-Backbone interact. energy: 0.190
local terms energy: -65.960348
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.579
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: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -104.367778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.367778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.367778 (E_RNA)
where:
Base-Base interactions energy: -50.845
where: short stacking energy: -40.089
Base-Backbone interact. energy: -0.187
local terms energy: -53.335817
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -1.180
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -129.915283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.915283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.915283 (E_RNA)
where:
Base-Base interactions energy: -74.348
where: short stacking energy: -34.139
Base-Backbone interact. energy: -0.319
local terms energy: -55.247995
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -84.256704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.256704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.256704 (E_RNA)
where:
Base-Base interactions energy: -36.638
where: short stacking energy: -31.207
Base-Backbone interact. energy: -0.538
local terms energy: -47.080617
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -96.188241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.188241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.188241 (E_RNA)
where:
Base-Base interactions energy: -51.009
where: short stacking energy: -32.396
Base-Backbone interact. energy: -0.166
local terms energy: -45.013394
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -82.265016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.265016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.265016 (E_RNA)
where:
Base-Base interactions energy: -29.702
where: short stacking energy: -29.902
Base-Backbone interact. energy: -0.025
local terms energy: -52.538067
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -213.351510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.351510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.351510 (E_RNA)
where:
Base-Base interactions energy: -133.822
where: short stacking energy: -70.042
Base-Backbone interact. energy: -0.123
local terms energy: -79.406980
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -197.610558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.610558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.610558 (E_RNA)
where:
Base-Base interactions energy: -128.230
where: short stacking energy: -56.088
Base-Backbone interact. energy: -0.067
local terms energy: -69.313637
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -151.354124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.354124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.354124 (E_RNA)
where:
Base-Base interactions energy: -80.562
where: short stacking energy: -46.219
Base-Backbone interact. energy: -0.097
local terms energy: -70.695391
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -197.113935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.113935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.113935 (E_RNA)
where:
Base-Base interactions energy: -130.847
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.791
local terms energy: -65.476841
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -180.806771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.806771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.806771 (E_RNA)
where:
Base-Base interactions energy: -112.635
where: short stacking energy: -71.943
Base-Backbone interact. energy: -0.054
local terms energy: -68.117177
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -89.446509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.446509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.446509 (E_RNA)
where:
Base-Base interactions energy: -31.688
where: short stacking energy: -27.100
Base-Backbone interact. energy: 0.003
local terms energy: -57.761367
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -87.403360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.403360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.403360 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -31.221
Base-Backbone interact. energy: -0.142
local terms energy: -51.960629
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -125.802952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.802952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.802952 (E_RNA)
where:
Base-Base interactions energy: -71.065
where: short stacking energy: -30.346
Base-Backbone interact. energy: -1.584
local terms energy: -53.153805
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -101.651754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.651754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.651754 (E_RNA)
where:
Base-Base interactions energy: -47.715
where: short stacking energy: -18.938
Base-Backbone interact. energy: -0.301
local terms energy: -53.636074
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -80.078736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.078736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.078736 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -28.476
Base-Backbone interact. energy: -0.192
local terms energy: -46.511278
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -221.563987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.563987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.563987 (E_RNA)
where:
Base-Base interactions energy: -140.881
where: short stacking energy: -70.420
Base-Backbone interact. energy: -0.035
local terms energy: -80.648015
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -22.966
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: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -163.779357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.779357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.779357 (E_RNA)
where:
Base-Base interactions energy: -95.730
where: short stacking energy: -52.580
Base-Backbone interact. energy: -0.824
local terms energy: -67.224668
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -8.755
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: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -176.662687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.662687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.662687 (E_RNA)
where:
Base-Base interactions energy: -106.516
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.447
local terms energy: -69.699857
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -199.828270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.828270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.828270 (E_RNA)
where:
Base-Base interactions energy: -128.738
where: short stacking energy: -70.567
Base-Backbone interact. energy: -0.049
local terms energy: -71.041689
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -169.717448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.717448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.717448 (E_RNA)
where:
Base-Base interactions energy: -103.368
where: short stacking energy: -53.181
Base-Backbone interact. energy: -0.133
local terms energy: -66.216453
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -16.002
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: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -101.239518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.239518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.239518 (E_RNA)
where:
Base-Base interactions energy: -42.891
where: short stacking energy: -36.353
Base-Backbone interact. energy: -0.003
local terms energy: -58.345959
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -8.479
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: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -110.802233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.802233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.802233 (E_RNA)
where:
Base-Base interactions energy: -57.333
where: short stacking energy: -28.105
Base-Backbone interact. energy: 0.152
local terms energy: -53.621283
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -3.061
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: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -126.891672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.891672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.891672 (E_RNA)
where:
Base-Base interactions energy: -70.383
where: short stacking energy: -36.694
Base-Backbone interact. energy: -0.121
local terms energy: -56.387115
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -13.481
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: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -85.340792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.340792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.340792 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -20.985
Base-Backbone interact. energy: -0.966
local terms energy: -42.523942
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -4.623
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: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -95.970604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.970604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.970604 (E_RNA)
where:
Base-Base interactions energy: -46.115
where: short stacking energy: -25.366
Base-Backbone interact. energy: -0.039
local terms energy: -49.816289
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -1.129
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: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -214.131838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.131838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.131838 (E_RNA)
where:
Base-Base interactions energy: -139.351
where: short stacking energy: -72.501
Base-Backbone interact. energy: -0.868
local terms energy: -73.913051
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -187.394306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.394306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.394306 (E_RNA)
where:
Base-Base interactions energy: -117.118
where: short stacking energy: -56.014
Base-Backbone interact. energy: -0.080
local terms energy: -70.196235
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -12.359
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: 320
Temperature: 1.000000
Total energy: -198.481210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.481210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.481210 (E_RNA)
where:
Base-Base interactions energy: -136.137
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.263
local terms energy: -62.081709
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -8.730
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: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -175.663432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.663432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.663432 (E_RNA)
where:
Base-Base interactions energy: -109.884
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.053
local terms energy: -65.726237
where:
bonds (distance) C4'-P energy: -7.415
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -178.273699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.273699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.273699 (E_RNA)
where:
Base-Base interactions energy: -109.726
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.015
local terms energy: -68.532073
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -12.424
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: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -114.758423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.758423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.758423 (E_RNA)
where:
Base-Base interactions energy: -50.668
where: short stacking energy: -48.126
Base-Backbone interact. energy: -0.616
local terms energy: -63.474284
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -162.636974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.636974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.636974 (E_RNA)
where:
Base-Base interactions energy: -99.896
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.108
local terms energy: -62.632763
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.835
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: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -97.491061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.491061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.491061 (E_RNA)
where:
Base-Base interactions energy: -35.874
where: short stacking energy: -34.899
Base-Backbone interact. energy: -0.046
local terms energy: -61.571090
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -7.486
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: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -89.332600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.332600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.332600 (E_RNA)
where:
Base-Base interactions energy: -37.279
where: short stacking energy: -31.071
Base-Backbone interact. energy: -0.040
local terms energy: -52.012906
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -86.476879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.476879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.476879 (E_RNA)
where:
Base-Base interactions energy: -26.548
where: short stacking energy: -20.942
Base-Backbone interact. energy: -0.669
local terms energy: -59.259833
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -208.308618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.308618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.308618 (E_RNA)
where:
Base-Base interactions energy: -129.580
where: short stacking energy: -69.695
Base-Backbone interact. energy: -0.045
local terms energy: -78.683338
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -202.951797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.951797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.951797 (E_RNA)
where:
Base-Base interactions energy: -135.475
where: short stacking energy: -57.302
Base-Backbone interact. energy: -0.556
local terms energy: -66.920243
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -177.326552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.326552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.326552 (E_RNA)
where:
Base-Base interactions energy: -109.928
where: short stacking energy: -59.447
Base-Backbone interact. energy: -0.437
local terms energy: -66.961313
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -168.021844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.021844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.021844 (E_RNA)
where:
Base-Base interactions energy: -102.509
where: short stacking energy: -50.254
Base-Backbone interact. energy: -0.019
local terms energy: -65.493801
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -8.137
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: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -173.758816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.758816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.758816 (E_RNA)
where:
Base-Base interactions energy: -105.903
where: short stacking energy: -46.662
Base-Backbone interact. energy: -0.068
local terms energy: -67.787936
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -156.298476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.298476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.298476 (E_RNA)
where:
Base-Base interactions energy: -93.183
where: short stacking energy: -39.037
Base-Backbone interact. energy: -0.263
local terms energy: -62.851883
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -7.397
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: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -91.252086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.252086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.252086 (E_RNA)
where:
Base-Base interactions energy: -34.415
where: short stacking energy: -21.448
Base-Backbone interact. energy: 0.632
local terms energy: -57.469201
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -103.145011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.145011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.145011 (E_RNA)
where:
Base-Base interactions energy: -49.554
where: short stacking energy: -36.725
Base-Backbone interact. energy: -0.843
local terms energy: -52.747534
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -6.007
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: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -82.182271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.182271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.182271 (E_RNA)
where:
Base-Base interactions energy: -40.533
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.181
local terms energy: -41.467375
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -79.872971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.872971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.872971 (E_RNA)
where:
Base-Base interactions energy: -27.971
where: short stacking energy: -25.724
Base-Backbone interact. energy: 0.276
local terms energy: -52.177314
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -1.967
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: 322
Temperature: 0.900000
Total energy: -208.653476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.653476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.653476 (E_RNA)
where:
Base-Base interactions energy: -137.355
where: short stacking energy: -63.295
Base-Backbone interact. energy: -0.345
local terms energy: -70.953521
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -210.118852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.118852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.118852 (E_RNA)
where:
Base-Base interactions energy: -135.625
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.419
local terms energy: -74.074497
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -173.401336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.401336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.401336 (E_RNA)
where:
Base-Base interactions energy: -112.633
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.033
local terms energy: -60.734616
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -13.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -160.909155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.909155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.909155 (E_RNA)
where:
Base-Base interactions energy: -99.548
where: short stacking energy: -53.045
Base-Backbone interact. energy: -0.165
local terms energy: -61.195972
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -183.150707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.150707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.150707 (E_RNA)
where:
Base-Base interactions energy: -119.623
where: short stacking energy: -60.251
Base-Backbone interact. energy: -0.013
local terms energy: -63.515229
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -164.394501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.394501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.394501 (E_RNA)
where:
Base-Base interactions energy: -108.637
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.438
local terms energy: -55.319403
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -85.579535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.579535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.579535 (E_RNA)
where:
Base-Base interactions energy: -32.784
where: short stacking energy: -17.170
Base-Backbone interact. energy: -0.859
local terms energy: -51.935945
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -83.822267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.822267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.822267 (E_RNA)
where:
Base-Base interactions energy: -33.177
where: short stacking energy: -33.177
Base-Backbone interact. energy: 0.351
local terms energy: -50.996157
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -8.195
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: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -81.836118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.836118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.836118 (E_RNA)
where:
Base-Base interactions energy: -43.762
where: short stacking energy: -14.099
Base-Backbone interact. energy: -0.374
local terms energy: -37.700038
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: 0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -75.627514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.627514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.627514 (E_RNA)
where:
Base-Base interactions energy: -32.778
where: short stacking energy: -19.519
Base-Backbone interact. energy: -0.132
local terms energy: -42.717831
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: 0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -208.800902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.800902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.800902 (E_RNA)
where:
Base-Base interactions energy: -135.068
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.947
local terms energy: -72.785915
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -180.824746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.824746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.824746 (E_RNA)
where:
Base-Base interactions energy: -111.045
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.040
local terms energy: -69.739026
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -199.956453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.956453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.956453 (E_RNA)
where:
Base-Base interactions energy: -129.492
where: short stacking energy: -65.591
Base-Backbone interact. energy: -0.082
local terms energy: -70.382301
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -11.383
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: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -193.944192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.944192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.944192 (E_RNA)
where:
Base-Base interactions energy: -123.070
where: short stacking energy: -60.396
Base-Backbone interact. energy: -0.288
local terms energy: -70.586927
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -159.281320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.281320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.281320 (E_RNA)
where:
Base-Base interactions energy: -88.196
where: short stacking energy: -57.029
Base-Backbone interact. energy: 0.106
local terms energy: -71.192131
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -15.273
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: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -132.972855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.972855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.972855 (E_RNA)
where:
Base-Base interactions energy: -80.271
where: short stacking energy: -35.931
Base-Backbone interact. energy: 3.408
local terms energy: -56.109366
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -92.633973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.633973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.633973 (E_RNA)
where:
Base-Base interactions energy: -42.445
where: short stacking energy: -34.428
Base-Backbone interact. energy: 0.172
local terms energy: -50.360971
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -78.434844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.434844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.434844 (E_RNA)
where:
Base-Base interactions energy: -29.677
where: short stacking energy: -25.145
Base-Backbone interact. energy: -0.283
local terms energy: -48.474442
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: 1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -77.210342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.210342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.210342 (E_RNA)
where:
Base-Base interactions energy: -25.105
where: short stacking energy: -20.536
Base-Backbone interact. energy: 0.139
local terms energy: -52.243958
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: 3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -82.503426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.503426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.503426 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -37.135
Base-Backbone interact. energy: -0.554
local terms energy: -44.814497
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -7.871
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -175.149483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.149483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.149483 (E_RNA)
where:
Base-Base interactions energy: -104.522
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.150
local terms energy: -70.478127
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -212.104004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.104004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.104004 (E_RNA)
where:
Base-Base interactions energy: -138.954
where: short stacking energy: -68.769
Base-Backbone interact. energy: -0.101
local terms energy: -73.049379
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -182.947387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.947387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.947387 (E_RNA)
where:
Base-Base interactions energy: -107.892
where: short stacking energy: -57.172
Base-Backbone interact. energy: -0.124
local terms energy: -74.931120
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.799
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: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -187.886082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.886082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.886082 (E_RNA)
where:
Base-Base interactions energy: -122.057
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.023
local terms energy: -65.805851
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -12.302
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: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -134.315174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.315174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.315174 (E_RNA)
where:
Base-Base interactions energy: -72.867
where: short stacking energy: -42.560
Base-Backbone interact. energy: -0.204
local terms energy: -61.243627
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -11.004
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: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -123.961931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.961931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.961931 (E_RNA)
where:
Base-Base interactions energy: -69.223
where: short stacking energy: -39.264
Base-Backbone interact. energy: -0.025
local terms energy: -54.713551
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -82.640682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.640682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.640682 (E_RNA)
where:
Base-Base interactions energy: -41.412
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.054
local terms energy: -41.174558
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -90.078189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.078189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.078189 (E_RNA)
where:
Base-Base interactions energy: -36.725
where: short stacking energy: -34.171
Base-Backbone interact. energy: -0.239
local terms energy: -53.114404
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -100.838642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.838642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.838642 (E_RNA)
where:
Base-Base interactions energy: -42.363
where: short stacking energy: -42.363
Base-Backbone interact. energy: -0.085
local terms energy: -58.390943
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -8.269
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: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -73.244934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.244934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.244934 (E_RNA)
where:
Base-Base interactions energy: -32.623
where: short stacking energy: -32.551
Base-Backbone interact. energy: -0.141
local terms energy: -40.480920
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -183.804309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.804309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.804309 (E_RNA)
where:
Base-Base interactions energy: -112.164
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.036
local terms energy: -71.603595
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -205.845911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.845911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.845911 (E_RNA)
where:
Base-Base interactions energy: -129.925
where: short stacking energy: -64.635
Base-Backbone interact. energy: -1.535
local terms energy: -74.385438
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -180.798513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.798513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.798513 (E_RNA)
where:
Base-Base interactions energy: -104.414
where: short stacking energy: -55.717
Base-Backbone interact. energy: -0.503
local terms energy: -75.881463
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -192.498303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.498303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.498303 (E_RNA)
where:
Base-Base interactions energy: -129.489
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.099
local terms energy: -62.911130
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -172.427407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.427407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.427407 (E_RNA)
where:
Base-Base interactions energy: -107.818
where: short stacking energy: -52.935
Base-Backbone interact. energy: -0.531
local terms energy: -64.078109
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -136.397716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.397716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.397716 (E_RNA)
where:
Base-Base interactions energy: -78.980
where: short stacking energy: -42.874
Base-Backbone interact. energy: -0.269
local terms energy: -57.148696
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -109.699982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.699982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.699982 (E_RNA)
where:
Base-Base interactions energy: -49.322
where: short stacking energy: -41.112
Base-Backbone interact. energy: -0.060
local terms energy: -60.318272
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -90.013784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.013784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.013784 (E_RNA)
where:
Base-Base interactions energy: -37.575
where: short stacking energy: -37.575
Base-Backbone interact. energy: -0.010
local terms energy: -52.428875
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -84.581999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.581999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.581999 (E_RNA)
where:
Base-Base interactions energy: -39.077
where: short stacking energy: -28.244
Base-Backbone interact. energy: 2.227
local terms energy: -47.731983
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -75.664384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.664384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.664384 (E_RNA)
where:
Base-Base interactions energy: -30.939
where: short stacking energy: -30.141
Base-Backbone interact. energy: -0.319
local terms energy: -44.406339
where:
bonds (distance) C4'-P energy: -7.092
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -9.517
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: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -215.157951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.157951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.157951 (E_RNA)
where:
Base-Base interactions energy: -134.079
where: short stacking energy: -65.136
Base-Backbone interact. energy: -1.134
local terms energy: -79.944965
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -183.063537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.063537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.063537 (E_RNA)
where:
Base-Base interactions energy: -110.187
where: short stacking energy: -60.872
Base-Backbone interact. energy: -0.317
local terms energy: -72.560217
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -185.790519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.790519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.790519 (E_RNA)
where:
Base-Base interactions energy: -108.114
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.217
local terms energy: -77.458703
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -180.548052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.548052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.548052 (E_RNA)
where:
Base-Base interactions energy: -118.791
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.135
local terms energy: -61.622200
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -149.173078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.173078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.173078 (E_RNA)
where:
Base-Base interactions energy: -82.919
where: short stacking energy: -43.392
Base-Backbone interact. energy: -0.326
local terms energy: -65.927997
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -159.232321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.232321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.232321 (E_RNA)
where:
Base-Base interactions energy: -94.728
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.252
local terms energy: -64.252386
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -9.949
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: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -92.983349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.983349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.983349 (E_RNA)
where:
Base-Base interactions energy: -33.696
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.001
local terms energy: -59.286224
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -99.302712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.302712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.302712 (E_RNA)
where:
Base-Base interactions energy: -48.425
where: short stacking energy: -28.865
Base-Backbone interact. energy: -0.275
local terms energy: -50.601957
where:
bonds (distance) C4'-P energy: -6.430
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -84.854629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.854629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.854629 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -30.052
Base-Backbone interact. energy: -0.039
local terms energy: -49.134710
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -1.007
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: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -71.301913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.301913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.301913 (E_RNA)
where:
Base-Base interactions energy: -29.031
where: short stacking energy: -18.618
Base-Backbone interact. energy: 2.621
local terms energy: -44.892194
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: -10.719
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: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -205.740795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.740795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.740795 (E_RNA)
where:
Base-Base interactions energy: -135.078
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.410
local terms energy: -70.252782
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -198.104132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.104132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.104132 (E_RNA)
where:
Base-Base interactions energy: -120.533
where: short stacking energy: -68.689
Base-Backbone interact. energy: -0.178
local terms energy: -77.393445
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -193.958124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.958124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.958124 (E_RNA)
where:
Base-Base interactions energy: -125.890
where: short stacking energy: -57.967
Base-Backbone interact. energy: -1.058
local terms energy: -67.010650
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -167.506463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.506463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.506463 (E_RNA)
where:
Base-Base interactions energy: -107.419
where: short stacking energy: -48.293
Base-Backbone interact. energy: -0.259
local terms energy: -59.828927
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -7.255
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: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -172.590846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.590846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.590846 (E_RNA)
where:
Base-Base interactions energy: -109.084
where: short stacking energy: -51.732
Base-Backbone interact. energy: -0.363
local terms energy: -63.143386
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -100.749331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.749331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.749331 (E_RNA)
where:
Base-Base interactions energy: -48.898
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.061
local terms energy: -51.790137
where:
bonds (distance) C4'-P energy: -6.319
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -104.178430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.178430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.178430 (E_RNA)
where:
Base-Base interactions energy: -47.758
where: short stacking energy: -44.186
Base-Backbone interact. energy: -0.022
local terms energy: -56.399090
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -93.150326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.150326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.150326 (E_RNA)
where:
Base-Base interactions energy: -37.773
where: short stacking energy: -35.157
Base-Backbone interact. energy: -0.114
local terms energy: -55.263057
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -90.589641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.589641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.589641 (E_RNA)
where:
Base-Base interactions energy: -41.388
where: short stacking energy: -21.809
Base-Backbone interact. energy: -0.378
local terms energy: -48.824366
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: 1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -80.305071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.305071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.305071 (E_RNA)
where:
Base-Base interactions energy: -30.675
where: short stacking energy: -24.307
Base-Backbone interact. energy: -0.303
local terms energy: -49.326965
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -205.860622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.860622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.860622 (E_RNA)
where:
Base-Base interactions energy: -137.329
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.497
local terms energy: -68.034818
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -16.664
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: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -207.829015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.829015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.829015 (E_RNA)
where:
Base-Base interactions energy: -139.825
where: short stacking energy: -56.552
Base-Backbone interact. energy: -1.244
local terms energy: -66.760217
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -186.491692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.491692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.491692 (E_RNA)
where:
Base-Base interactions energy: -114.380
where: short stacking energy: -63.702
Base-Backbone interact. energy: -1.116
local terms energy: -70.996005
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -169.512554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.512554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.512554 (E_RNA)
where:
Base-Base interactions energy: -107.956
where: short stacking energy: -49.830
Base-Backbone interact. energy: -0.235
local terms energy: -61.322247
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -152.363874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.363874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.363874 (E_RNA)
where:
Base-Base interactions energy: -86.042
where: short stacking energy: -43.962
Base-Backbone interact. energy: -0.390
local terms energy: -65.932551
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -11.224
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: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -121.858082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.858082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.858082 (E_RNA)
where:
Base-Base interactions energy: -66.962
where: short stacking energy: -50.821
Base-Backbone interact. energy: -0.082
local terms energy: -54.814251
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -89.506313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.506313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.506313 (E_RNA)
where:
Base-Base interactions energy: -34.075
where: short stacking energy: -33.494
Base-Backbone interact. energy: -0.130
local terms energy: -55.301551
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -87.448301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448301 (E_RNA)
where:
Base-Base interactions energy: -35.111
where: short stacking energy: -33.231
Base-Backbone interact. energy: -0.160
local terms energy: -52.177485
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -85.030010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.030010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.030010 (E_RNA)
where:
Base-Base interactions energy: -35.568
where: short stacking energy: -23.233
Base-Backbone interact. energy: 1.614
local terms energy: -51.076160
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -78.835307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.835307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.835307 (E_RNA)
where:
Base-Base interactions energy: -39.629
where: short stacking energy: -31.277
Base-Backbone interact. energy: -0.276
local terms energy: -38.930564
where:
bonds (distance) C4'-P energy: -0.363
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -222.196725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.196725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.196725 (E_RNA)
where:
Base-Base interactions energy: -147.527
where: short stacking energy: -69.528
Base-Backbone interact. energy: -0.097
local terms energy: -74.572877
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -196.019508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.019508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.019508 (E_RNA)
where:
Base-Base interactions energy: -122.478
where: short stacking energy: -65.896
Base-Backbone interact. energy: -0.664
local terms energy: -72.877930
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -11.348
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: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -193.732453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.732453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.732453 (E_RNA)
where:
Base-Base interactions energy: -114.284
where: short stacking energy: -64.876
Base-Backbone interact. energy: -0.672
local terms energy: -78.776310
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -171.863300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.863300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.863300 (E_RNA)
where:
Base-Base interactions energy: -105.768
where: short stacking energy: -65.306
Base-Backbone interact. energy: -0.124
local terms energy: -65.971329
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -9.245
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: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -145.620701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.620701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.620701 (E_RNA)
where:
Base-Base interactions energy: -84.499
where: short stacking energy: -40.222
Base-Backbone interact. energy: -0.012
local terms energy: -61.108980
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -103.367567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.367567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.367567 (E_RNA)
where:
Base-Base interactions energy: -56.749
where: short stacking energy: -56.134
Base-Backbone interact. energy: -0.158
local terms energy: -46.460022
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -92.483725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.483725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.483725 (E_RNA)
where:
Base-Base interactions energy: -36.015
where: short stacking energy: -23.513
Base-Backbone interact. energy: 0.505
local terms energy: -56.974131
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -8.935
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: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -85.073449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.073449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.073449 (E_RNA)
where:
Base-Base interactions energy: -31.976
where: short stacking energy: -22.467
Base-Backbone interact. energy: 0.002
local terms energy: -53.098982
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -8.575
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: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -77.175673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.175673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.175673 (E_RNA)
where:
Base-Base interactions energy: -31.881
where: short stacking energy: -27.049
Base-Backbone interact. energy: 0.484
local terms energy: -45.778484
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: 0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -75.754800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.754800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.754800 (E_RNA)
where:
Base-Base interactions energy: -23.208
where: short stacking energy: -23.208
Base-Backbone interact. energy: -0.120
local terms energy: -52.426946
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -7.587
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: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -207.875138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.875138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.875138 (E_RNA)
where:
Base-Base interactions energy: -144.635
where: short stacking energy: -69.524
Base-Backbone interact. energy: -1.276
local terms energy: -61.963913
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -193.784167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.784167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.784167 (E_RNA)
where:
Base-Base interactions energy: -132.584
where: short stacking energy: -48.287
Base-Backbone interact. energy: -0.123
local terms energy: -61.076833
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -205.721475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.721475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.721475 (E_RNA)
where:
Base-Base interactions energy: -129.396
where: short stacking energy: -71.439
Base-Backbone interact. energy: -0.046
local terms energy: -76.280085
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -11.565
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: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -188.467658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.467658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.467658 (E_RNA)
where:
Base-Base interactions energy: -114.238
where: short stacking energy: -63.227
Base-Backbone interact. energy: -0.007
local terms energy: -74.222466
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -169.962475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.962475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.962475 (E_RNA)
where:
Base-Base interactions energy: -103.185
where: short stacking energy: -58.769
Base-Backbone interact. energy: -0.123
local terms energy: -66.654921
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -11.174
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: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -103.877616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.877616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.877616 (E_RNA)
where:
Base-Base interactions energy: -48.033
where: short stacking energy: -48.033
Base-Backbone interact. energy: -0.004
local terms energy: -55.841348
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -108.809011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.809011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.809011 (E_RNA)
where:
Base-Base interactions energy: -58.399
where: short stacking energy: -32.923
Base-Backbone interact. energy: -0.501
local terms energy: -49.908891
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -7.057
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: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -90.163739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.163739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.163739 (E_RNA)
where:
Base-Base interactions energy: -40.851
where: short stacking energy: -38.972
Base-Backbone interact. energy: -0.052
local terms energy: -49.261161
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -99.845960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.845960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.845960 (E_RNA)
where:
Base-Base interactions energy: -39.262
where: short stacking energy: -39.262
Base-Backbone interact. energy: -0.015
local terms energy: -60.568811
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -76.512399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.512399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.512399 (E_RNA)
where:
Base-Base interactions energy: -24.363
where: short stacking energy: -24.224
Base-Backbone interact. energy: -0.071
local terms energy: -52.078204
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -204.457718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.457718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.457718 (E_RNA)
where:
Base-Base interactions energy: -133.988
where: short stacking energy: -58.283
Base-Backbone interact. energy: -0.624
local terms energy: -69.845449
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -214.761593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.761593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.761593 (E_RNA)
where:
Base-Base interactions energy: -139.365
where: short stacking energy: -68.405
Base-Backbone interact. energy: -0.000
local terms energy: -75.396035
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -194.191865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.191865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.191865 (E_RNA)
where:
Base-Base interactions energy: -125.051
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.007
local terms energy: -69.133606
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -175.736460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.736460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.736460 (E_RNA)
where:
Base-Base interactions energy: -116.837
where: short stacking energy: -57.358
Base-Backbone interact. energy: -0.661
local terms energy: -58.238038
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -9.768
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: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -168.677320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.677320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.677320 (E_RNA)
where:
Base-Base interactions energy: -101.325
where: short stacking energy: -55.326
Base-Backbone interact. energy: -0.001
local terms energy: -67.350567
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -127.202564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.202564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.202564 (E_RNA)
where:
Base-Base interactions energy: -67.630
where: short stacking energy: -43.666
Base-Backbone interact. energy: -0.192
local terms energy: -59.379967
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -9.356
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: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -89.655932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.655932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.655932 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -26.432
Base-Backbone interact. energy: -0.503
local terms energy: -42.516808
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -102.957920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.957920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.957920 (E_RNA)
where:
Base-Base interactions energy: -48.092
where: short stacking energy: -37.553
Base-Backbone interact. energy: -0.026
local terms energy: -54.839942
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -9.066
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: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -88.401733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.401733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.401733 (E_RNA)
where:
Base-Base interactions energy: -36.091
where: short stacking energy: -28.086
Base-Backbone interact. energy: -0.207
local terms energy: -52.103121
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -72.519145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.519145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.519145 (E_RNA)
where:
Base-Base interactions energy: -22.424
where: short stacking energy: -21.759
Base-Backbone interact. energy: -0.376
local terms energy: -49.718956
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: 1.585
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: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -217.350917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.350917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.350917 (E_RNA)
where:
Base-Base interactions energy: -139.633
where: short stacking energy: -71.702
Base-Backbone interact. energy: -0.019
local terms energy: -77.698556
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -198.251044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.251044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.251044 (E_RNA)
where:
Base-Base interactions energy: -129.930
where: short stacking energy: -53.656
Base-Backbone interact. energy: -0.211
local terms energy: -68.109857
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -197.751017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.751017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.751017 (E_RNA)
where:
Base-Base interactions energy: -119.982
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.078
local terms energy: -77.691508
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -166.922727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.922727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.922727 (E_RNA)
where:
Base-Base interactions energy: -108.212
where: short stacking energy: -53.916
Base-Backbone interact. energy: -0.041
local terms energy: -58.670162
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -158.402328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.402328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.402328 (E_RNA)
where:
Base-Base interactions energy: -103.319
where: short stacking energy: -52.090
Base-Backbone interact. energy: -0.167
local terms energy: -54.916611
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -101.022661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.022661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.022661 (E_RNA)
where:
Base-Base interactions energy: -44.040
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.451
local terms energy: -56.531736
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -108.559587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.559587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.559587 (E_RNA)
where:
Base-Base interactions energy: -50.094
where: short stacking energy: -32.653
Base-Backbone interact. energy: -0.517
local terms energy: -57.948051
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -93.041491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.041491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.041491 (E_RNA)
where:
Base-Base interactions energy: -35.866
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.294
local terms energy: -56.882079
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -84.340505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.340505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.340505 (E_RNA)
where:
Base-Base interactions energy: -38.304
where: short stacking energy: -23.245
Base-Backbone interact. energy: -0.608
local terms energy: -45.427832
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: 1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -77.165760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.165760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.165760 (E_RNA)
where:
Base-Base interactions energy: -28.795
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.014
local terms energy: -48.357019
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -213.368820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.368820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.368820 (E_RNA)
where:
Base-Base interactions energy: -133.935
where: short stacking energy: -71.603
Base-Backbone interact. energy: -0.049
local terms energy: -79.385122
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -193.818648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.818648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.818648 (E_RNA)
where:
Base-Base interactions energy: -115.144
where: short stacking energy: -66.681
Base-Backbone interact. energy: -0.009
local terms energy: -78.666133
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -203.175542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.175542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.175542 (E_RNA)
where:
Base-Base interactions energy: -130.806
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.246
local terms energy: -72.124198
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -12.053
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: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -159.365863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.365863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.365863 (E_RNA)
where:
Base-Base interactions energy: -92.076
where: short stacking energy: -57.270
Base-Backbone interact. energy: -0.006
local terms energy: -67.284551
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -13.185
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: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -166.528531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.528531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.528531 (E_RNA)
where:
Base-Base interactions energy: -111.193
where: short stacking energy: -47.647
Base-Backbone interact. energy: -2.081
local terms energy: -53.254394
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -7.146
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: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -118.843928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.843928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.843928 (E_RNA)
where:
Base-Base interactions energy: -56.615
where: short stacking energy: -43.532
Base-Backbone interact. energy: 0.685
local terms energy: -62.914303
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -12.809
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: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -92.475412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.475412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.475412 (E_RNA)
where:
Base-Base interactions energy: -37.347
where: short stacking energy: -37.347
Base-Backbone interact. energy: -0.161
local terms energy: -54.967631
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -89.016013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.016013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.016013 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -32.800
Base-Backbone interact. energy: -0.018
local terms energy: -56.198324
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -90.057563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.057563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.057563 (E_RNA)
where:
Base-Base interactions energy: -34.707
where: short stacking energy: -26.319
Base-Backbone interact. energy: -0.144
local terms energy: -55.206601
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -76.438933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.438933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.438933 (E_RNA)
where:
Base-Base interactions energy: -27.981
where: short stacking energy: -27.981
Base-Backbone interact. energy: -0.036
local terms energy: -48.421676
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -0.766
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -212.564104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.564104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.564104 (E_RNA)
where:
Base-Base interactions energy: -131.666
where: short stacking energy: -70.134
Base-Backbone interact. energy: -0.001
local terms energy: -80.897402
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -13.650
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: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -200.937470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.937470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.937470 (E_RNA)
where:
Base-Base interactions energy: -131.423
where: short stacking energy: -60.573
Base-Backbone interact. energy: -0.350
local terms energy: -69.165018
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -192.403920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.403920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.403920 (E_RNA)
where:
Base-Base interactions energy: -126.781
where: short stacking energy: -53.552
Base-Backbone interact. energy: -0.297
local terms energy: -65.325757
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -188.002328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.002328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.002328 (E_RNA)
where:
Base-Base interactions energy: -124.515
where: short stacking energy: -58.107
Base-Backbone interact. energy: -1.205
local terms energy: -62.282236
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -5.911
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: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -183.975606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.975606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.975606 (E_RNA)
where:
Base-Base interactions energy: -116.390
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.004
local terms energy: -67.581290
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -103.524812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.524812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.524812 (E_RNA)
where:
Base-Base interactions energy: -41.173
where: short stacking energy: -34.848
Base-Backbone interact. energy: -0.860
local terms energy: -61.491773
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -93.740960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.740960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.740960 (E_RNA)
where:
Base-Base interactions energy: -39.383
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.090
local terms energy: -54.267938
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -87.417864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.417864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.417864 (E_RNA)
where:
Base-Base interactions energy: -33.214
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.066
local terms energy: -54.138593
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -78.908754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.908754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.908754 (E_RNA)
where:
Base-Base interactions energy: -29.714
where: short stacking energy: -29.714
Base-Backbone interact. energy: -0.203
local terms energy: -48.991912
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -77.414916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.414916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.414916 (E_RNA)
where:
Base-Base interactions energy: -32.925
where: short stacking energy: -28.810
Base-Backbone interact. energy: -0.156
local terms energy: -44.333391
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -208.228925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.228925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.228925 (E_RNA)
where:
Base-Base interactions energy: -130.679
where: short stacking energy: -60.670
Base-Backbone interact. energy: -0.346
local terms energy: -77.203824
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -19.776
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: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -213.416577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.416577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.416577 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -61.133
Base-Backbone interact. energy: -0.173
local terms energy: -74.021197
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -176.616825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.616825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.616825 (E_RNA)
where:
Base-Base interactions energy: -114.775
where: short stacking energy: -50.985
Base-Backbone interact. energy: 0.714
local terms energy: -62.555152
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -187.842963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.842963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.842963 (E_RNA)
where:
Base-Base interactions energy: -127.108
where: short stacking energy: -53.452
Base-Backbone interact. energy: 0.081
local terms energy: -60.815820
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -191.238315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.238315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.238315 (E_RNA)
where:
Base-Base interactions energy: -125.795
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.030
local terms energy: -65.413639
where:
bonds (distance) C4'-P energy: -7.703
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -102.598746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.598746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.598746 (E_RNA)
where:
Base-Base interactions energy: -43.107
where: short stacking energy: -32.945
Base-Backbone interact. energy: -0.102
local terms energy: -59.388993
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -89.879341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.879341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.879341 (E_RNA)
where:
Base-Base interactions energy: -33.216
where: short stacking energy: -24.506
Base-Backbone interact. energy: -0.194
local terms energy: -56.469311
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -85.470950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.470950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.470950 (E_RNA)
where:
Base-Base interactions energy: -36.490
where: short stacking energy: -36.490
Base-Backbone interact. energy: -0.005
local terms energy: -48.975921
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -81.434431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.434431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.434431 (E_RNA)
where:
Base-Base interactions energy: -27.136
where: short stacking energy: -26.515
Base-Backbone interact. energy: -0.003
local terms energy: -54.295877
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -5.224
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: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -90.788918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.788918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.788918 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -21.667
Base-Backbone interact. energy: -0.259
local terms energy: -54.891189
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: 2.136
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: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -217.038855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.038855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.038855 (E_RNA)
where:
Base-Base interactions energy: -149.439
where: short stacking energy: -67.159
Base-Backbone interact. energy: -0.071
local terms energy: -67.528632
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -208.828581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.828581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.828581 (E_RNA)
where:
Base-Base interactions energy: -128.117
where: short stacking energy: -68.494
Base-Backbone interact. energy: -0.013
local terms energy: -80.697820
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -23.616
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: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -188.814468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.814468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.814468 (E_RNA)
where:
Base-Base interactions energy: -122.609
where: short stacking energy: -56.199
Base-Backbone interact. energy: 1.850
local terms energy: -68.055229
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -155.914371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.914371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.914371 (E_RNA)
where:
Base-Base interactions energy: -87.240
where: short stacking energy: -47.379
Base-Backbone interact. energy: -0.871
local terms energy: -67.803472
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -14.292
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: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -178.512322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.512322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.512322 (E_RNA)
where:
Base-Base interactions energy: -110.071
where: short stacking energy: -48.220
Base-Backbone interact. energy: -0.251
local terms energy: -68.189512
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -15.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -98.385074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.385074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.385074 (E_RNA)
where:
Base-Base interactions energy: -44.333
where: short stacking energy: -33.846
Base-Backbone interact. energy: 0.447
local terms energy: -54.498717
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -5.008
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: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -97.093688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.093688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.093688 (E_RNA)
where:
Base-Base interactions energy: -43.287
where: short stacking energy: -38.434
Base-Backbone interact. energy: 0.658
local terms energy: -54.464600
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -8.282
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: 336
Temperature: 1.250000
Total energy: -85.728261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.728261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.728261 (E_RNA)
where:
Base-Base interactions energy: -39.750
where: short stacking energy: -25.200
Base-Backbone interact. energy: -0.462
local terms energy: -45.516207
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: 1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -83.568992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.568992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.568992 (E_RNA)
where:
Base-Base interactions energy: -26.444
where: short stacking energy: -16.522
Base-Backbone interact. energy: -0.532
local terms energy: -56.592767
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -0.707
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: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -83.099951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.099951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.099951 (E_RNA)
where:
Base-Base interactions energy: -24.560
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.007
local terms energy: -58.532399
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -223.117005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.117005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.117005 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -67.920
Base-Backbone interact. energy: -0.297
local terms energy: -75.252715
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -207.983260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.983260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.983260 (E_RNA)
where:
Base-Base interactions energy: -127.347
where: short stacking energy: -63.768
Base-Backbone interact. energy: -0.007
local terms energy: -80.629005
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -190.495722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.495722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.495722 (E_RNA)
where:
Base-Base interactions energy: -119.863
where: short stacking energy: -55.667
Base-Backbone interact. energy: -0.299
local terms energy: -70.333654
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -181.896252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.896252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.896252 (E_RNA)
where:
Base-Base interactions energy: -109.245
where: short stacking energy: -55.420
Base-Backbone interact. energy: -0.008
local terms energy: -72.643252
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -15.071
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: 337
Temperature: 1.100000
Total energy: -161.389703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.389703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.389703 (E_RNA)
where:
Base-Base interactions energy: -97.713
where: short stacking energy: -50.897
Base-Backbone interact. energy: -0.660
local terms energy: -63.016861
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -96.017455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.017455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.017455 (E_RNA)
where:
Base-Base interactions energy: -40.980
where: short stacking energy: -32.563
Base-Backbone interact. energy: -0.524
local terms energy: -54.513282
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -3.187
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: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -107.552278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.552278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.552278 (E_RNA)
where:
Base-Base interactions energy: -47.396
where: short stacking energy: -37.428
Base-Backbone interact. energy: -0.343
local terms energy: -59.813136
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -86.365978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.365978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.365978 (E_RNA)
where:
Base-Base interactions energy: -38.164
where: short stacking energy: -19.805
Base-Backbone interact. energy: -0.267
local terms energy: -47.934332
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: 0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -81.418063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.418063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.418063 (E_RNA)
where:
Base-Base interactions energy: -27.654
where: short stacking energy: -26.736
Base-Backbone interact. energy: -0.806
local terms energy: -52.958409
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -4.368
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: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -76.307377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.307377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.307377 (E_RNA)
where:
Base-Base interactions energy: -26.044
where: short stacking energy: -26.044
Base-Backbone interact. energy: -0.200
local terms energy: -50.062946
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -213.021144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.021144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.021144 (E_RNA)
where:
Base-Base interactions energy: -138.724
where: short stacking energy: -60.873
Base-Backbone interact. energy: -1.428
local terms energy: -72.869300
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -215.505912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.505912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.505912 (E_RNA)
where:
Base-Base interactions energy: -143.767
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.126
local terms energy: -71.612852
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -19.180
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: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -188.140786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.140786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.140786 (E_RNA)
where:
Base-Base interactions energy: -111.244
where: short stacking energy: -57.206
Base-Backbone interact. energy: -0.034
local terms energy: -76.862998
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -12.506
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: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -191.872934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.872934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.872934 (E_RNA)
where:
Base-Base interactions energy: -124.329
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.062
local terms energy: -67.481712
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -5.621
flat angles P-C4'-P energy: -9.249
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: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -183.587685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.587685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.587685 (E_RNA)
where:
Base-Base interactions energy: -110.637
where: short stacking energy: -54.884
Base-Backbone interact. energy: -0.080
local terms energy: -72.869940
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -96.010693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.010693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.010693 (E_RNA)
where:
Base-Base interactions energy: -38.049
where: short stacking energy: -29.282
Base-Backbone interact. energy: -0.134
local terms energy: -57.828214
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -90.866083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.866083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.866083 (E_RNA)
where:
Base-Base interactions energy: -46.045
where: short stacking energy: -26.141
Base-Backbone interact. energy: 0.153
local terms energy: -44.973914
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: 2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -88.142969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.142969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.142969 (E_RNA)
where:
Base-Base interactions energy: -44.345
where: short stacking energy: -43.123
Base-Backbone interact. energy: -0.102
local terms energy: -43.695703
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -84.048491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.048491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.048491 (E_RNA)
where:
Base-Base interactions energy: -34.491
where: short stacking energy: -23.891
Base-Backbone interact. energy: -0.122
local terms energy: -49.435409
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: 1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -74.862879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.862879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.862879 (E_RNA)
where:
Base-Base interactions energy: -34.086
where: short stacking energy: -25.538
Base-Backbone interact. energy: 0.821
local terms energy: -41.597609
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -0.689
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -213.986297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.986297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.986297 (E_RNA)
where:
Base-Base interactions energy: -131.600
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.308
local terms energy: -82.078340
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -217.971837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.971837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.971837 (E_RNA)
where:
Base-Base interactions energy: -140.764
where: short stacking energy: -63.689
Base-Backbone interact. energy: -0.100
local terms energy: -77.106928
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -173.435176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.435176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.435176 (E_RNA)
where:
Base-Base interactions energy: -105.024
where: short stacking energy: -62.215
Base-Backbone interact. energy: -0.073
local terms energy: -68.338642
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.952
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: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -175.484117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.484117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.484117 (E_RNA)
where:
Base-Base interactions energy: -113.781
where: short stacking energy: -55.125
Base-Backbone interact. energy: 0.463
local terms energy: -62.165423
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -181.972904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.972904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.972904 (E_RNA)
where:
Base-Base interactions energy: -113.166
where: short stacking energy: -60.389
Base-Backbone interact. energy: -0.132
local terms energy: -68.674986
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -84.791683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.791683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.791683 (E_RNA)
where:
Base-Base interactions energy: -39.399
where: short stacking energy: -15.528
Base-Backbone interact. energy: -0.627
local terms energy: -44.765356
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: 5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -96.414858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.414858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.414858 (E_RNA)
where:
Base-Base interactions energy: -41.763
where: short stacking energy: -27.704
Base-Backbone interact. energy: -0.121
local terms energy: -54.531120
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -79.988581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.988581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.988581 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -26.643
Base-Backbone interact. energy: 1.003
local terms energy: -52.761195
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -1.865
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: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -75.924539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.924539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.924539 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -20.358
Base-Backbone interact. energy: -0.292
local terms energy: -45.129496
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: 3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -81.901197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.901197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.901197 (E_RNA)
where:
Base-Base interactions energy: -33.029
where: short stacking energy: -25.939
Base-Backbone interact. energy: -0.500
local terms energy: -48.372105
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -222.196062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.196062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.196062 (E_RNA)
where:
Base-Base interactions energy: -137.818
where: short stacking energy: -72.990
Base-Backbone interact. energy: -1.400
local terms energy: -82.977612
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -210.733234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.733234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.733234 (E_RNA)
where:
Base-Base interactions energy: -129.499
where: short stacking energy: -69.548
Base-Backbone interact. energy: -0.080
local terms energy: -81.154564
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -180.350245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.350245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.350245 (E_RNA)
where:
Base-Base interactions energy: -115.917
where: short stacking energy: -52.267
Base-Backbone interact. energy: -0.432
local terms energy: -64.001595
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -190.387079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.387079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.387079 (E_RNA)
where:
Base-Base interactions energy: -124.104
where: short stacking energy: -62.079
Base-Backbone interact. energy: -0.056
local terms energy: -66.227642
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -165.906172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.906172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.906172 (E_RNA)
where:
Base-Base interactions energy: -109.971
where: short stacking energy: -53.408
Base-Backbone interact. energy: -0.500
local terms energy: -55.435597
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -9.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -101.735630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.735630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.735630 (E_RNA)
where:
Base-Base interactions energy: -46.574
where: short stacking energy: -32.342
Base-Backbone interact. energy: -0.109
local terms energy: -55.052626
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -94.529518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.529518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.529518 (E_RNA)
where:
Base-Base interactions energy: -48.489
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.143
local terms energy: -45.898010
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -108.068831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.068831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.068831 (E_RNA)
where:
Base-Base interactions energy: -50.311
where: short stacking energy: -47.799
Base-Backbone interact. energy: 0.490
local terms energy: -58.247763
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -92.687399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.687399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.687399 (E_RNA)
where:
Base-Base interactions energy: -37.523
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.356
local terms energy: -54.808296
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -74.878290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.878290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.878290 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -28.494
Base-Backbone interact. energy: -0.314
local terms energy: -43.155154
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: 4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -217.728418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.728418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.728418 (E_RNA)
where:
Base-Base interactions energy: -136.580
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.000
local terms energy: -81.148875
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -20.431
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: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -207.437813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.437813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.437813 (E_RNA)
where:
Base-Base interactions energy: -126.577
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.001
local terms energy: -80.860081
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -13.628
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: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -190.530701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.530701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.530701 (E_RNA)
where:
Base-Base interactions energy: -121.317
where: short stacking energy: -51.367
Base-Backbone interact. energy: -0.619
local terms energy: -68.595311
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -11.230
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: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -169.558846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.558846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.558846 (E_RNA)
where:
Base-Base interactions energy: -103.637
where: short stacking energy: -53.301
Base-Backbone interact. energy: -0.002
local terms energy: -65.920373
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -164.786003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.786003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.786003 (E_RNA)
where:
Base-Base interactions energy: -109.430
where: short stacking energy: -58.578
Base-Backbone interact. energy: -0.037
local terms energy: -55.319589
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -1.981
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: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -119.281474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.281474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.281474 (E_RNA)
where:
Base-Base interactions energy: -55.128
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.048
local terms energy: -64.105232
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -102.314080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.314080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.314080 (E_RNA)
where:
Base-Base interactions energy: -40.080
where: short stacking energy: -38.080
Base-Backbone interact. energy: -0.131
local terms energy: -62.102931
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -11.186
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: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -89.373028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.373028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.373028 (E_RNA)
where:
Base-Base interactions energy: -35.273
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.073
local terms energy: -54.027711
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -81.572973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.572973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.572973 (E_RNA)
where:
Base-Base interactions energy: -33.053
where: short stacking energy: -24.352
Base-Backbone interact. energy: -0.134
local terms energy: -48.385660
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: 0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -80.528830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.528830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.528830 (E_RNA)
where:
Base-Base interactions energy: -29.452
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.365
local terms energy: -50.711890
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -222.416057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.416057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.416057 (E_RNA)
where:
Base-Base interactions energy: -143.407
where: short stacking energy: -69.769
Base-Backbone interact. energy: -0.124
local terms energy: -78.884998
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -224.581831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.581831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.581831 (E_RNA)
where:
Base-Base interactions energy: -144.316
where: short stacking energy: -75.852
Base-Backbone interact. energy: -0.007
local terms energy: -80.258955
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -190.504061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.504061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.504061 (E_RNA)
where:
Base-Base interactions energy: -120.338
where: short stacking energy: -58.533
Base-Backbone interact. energy: -0.262
local terms energy: -69.904458
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -158.636647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.636647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.636647 (E_RNA)
where:
Base-Base interactions energy: -89.062
where: short stacking energy: -55.935
Base-Backbone interact. energy: -0.144
local terms energy: -69.430454
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -179.509697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.509697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.509697 (E_RNA)
where:
Base-Base interactions energy: -109.148
where: short stacking energy: -55.661
Base-Backbone interact. energy: -0.116
local terms energy: -70.245534
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -13.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -100.052053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.052053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.052053 (E_RNA)
where:
Base-Base interactions energy: -41.126
where: short stacking energy: -38.516
Base-Backbone interact. energy: -0.279
local terms energy: -58.647695
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -142.164451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.164451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.164451 (E_RNA)
where:
Base-Base interactions energy: -92.094
where: short stacking energy: -39.458
Base-Backbone interact. energy: -1.105
local terms energy: -48.965154
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -88.715274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.715274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.715274 (E_RNA)
where:
Base-Base interactions energy: -44.421
where: short stacking energy: -17.306
Base-Backbone interact. energy: -0.088
local terms energy: -44.206077
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -5.629
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -89.864504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.864504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.864504 (E_RNA)
where:
Base-Base interactions energy: -48.545
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.404
local terms energy: -40.914590
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -8.391
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -1.176
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: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -81.923324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.923324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.923324 (E_RNA)
where:
Base-Base interactions energy: -29.908
where: short stacking energy: -27.820
Base-Backbone interact. energy: -0.206
local terms energy: -51.809097
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -211.548714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.548714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.548714 (E_RNA)
where:
Base-Base interactions energy: -137.543
where: short stacking energy: -66.647
Base-Backbone interact. energy: 5.936
local terms energy: -79.941395
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -195.221704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.221704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.221704 (E_RNA)
where:
Base-Base interactions energy: -125.051
where: short stacking energy: -61.735
Base-Backbone interact. energy: 0.553
local terms energy: -70.724435
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -9.854
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: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -178.299467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.299467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.299467 (E_RNA)
where:
Base-Base interactions energy: -116.898
where: short stacking energy: -48.151
Base-Backbone interact. energy: 0.587
local terms energy: -61.988810
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -188.090757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090757 (E_RNA)
where:
Base-Base interactions energy: -118.036
where: short stacking energy: -59.005
Base-Backbone interact. energy: -0.129
local terms energy: -69.925353
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -158.750574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.750574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.750574 (E_RNA)
where:
Base-Base interactions energy: -92.785
where: short stacking energy: -46.748
Base-Backbone interact. energy: -0.275
local terms energy: -65.690929
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -11.570
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: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -163.751998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.751998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.751998 (E_RNA)
where:
Base-Base interactions energy: -102.690
where: short stacking energy: -45.402
Base-Backbone interact. energy: -0.168
local terms energy: -60.894543
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -8.193
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: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -94.134391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.134391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.134391 (E_RNA)
where:
Base-Base interactions energy: -40.430
where: short stacking energy: -31.502
Base-Backbone interact. energy: -0.019
local terms energy: -53.685786
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -85.846803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.846803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.846803 (E_RNA)
where:
Base-Base interactions energy: -38.016
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.388
local terms energy: -47.442562
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -80.839413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839413 (E_RNA)
where:
Base-Base interactions energy: -42.749
where: short stacking energy: -22.388
Base-Backbone interact. energy: -0.364
local terms energy: -37.726567
where:
bonds (distance) C4'-P energy: -6.414
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -2.267
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: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -77.024877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.024877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.024877 (E_RNA)
where:
Base-Base interactions energy: -33.067
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.057
local terms energy: -43.901468
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -8.679
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -222.374246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.374246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.374246 (E_RNA)
where:
Base-Base interactions energy: -147.568
where: short stacking energy: -72.620
Base-Backbone interact. energy: 1.211
local terms energy: -76.016788
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -13.049
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: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -205.170159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.170159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.170159 (E_RNA)
where:
Base-Base interactions energy: -125.966
where: short stacking energy: -66.413
Base-Backbone interact. energy: -0.008
local terms energy: -79.195919
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -19.915
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: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -204.603252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.603252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.603252 (E_RNA)
where:
Base-Base interactions energy: -127.147
where: short stacking energy: -68.925
Base-Backbone interact. energy: -0.515
local terms energy: -76.940885
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -184.180698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.180698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.180698 (E_RNA)
where:
Base-Base interactions energy: -117.574
where: short stacking energy: -57.209
Base-Backbone interact. energy: -0.488
local terms energy: -66.118299
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -12.663
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: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -180.637607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.637607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.637607 (E_RNA)
where:
Base-Base interactions energy: -116.580
where: short stacking energy: -53.206
Base-Backbone interact. energy: -0.012
local terms energy: -64.045213
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -13.232
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: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -142.531292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.531292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.531292 (E_RNA)
where:
Base-Base interactions energy: -86.946
where: short stacking energy: -43.054
Base-Backbone interact. energy: -0.015
local terms energy: -55.570534
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -10.513
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -94.439183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.439183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.439183 (E_RNA)
where:
Base-Base interactions energy: -41.282
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.106
local terms energy: -53.051220
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -8.313
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: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -90.283378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.283378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.283378 (E_RNA)
where:
Base-Base interactions energy: -34.498
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.122
local terms energy: -55.663896
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -10.417
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: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -92.644501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.644501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.644501 (E_RNA)
where:
Base-Base interactions energy: -40.207
where: short stacking energy: -40.207
Base-Backbone interact. energy: -0.121
local terms energy: -52.316829
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -6.592
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: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -81.670906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.670906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.670906 (E_RNA)
where:
Base-Base interactions energy: -33.276
where: short stacking energy: -23.767
Base-Backbone interact. energy: -0.365
local terms energy: -48.029701
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -2.542
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: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -209.005679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.005679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.005679 (E_RNA)
where:
Base-Base interactions energy: -139.725
where: short stacking energy: -64.734
Base-Backbone interact. energy: -0.593
local terms energy: -68.687204
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -205.166899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.166899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.166899 (E_RNA)
where:
Base-Base interactions energy: -125.292
where: short stacking energy: -73.597
Base-Backbone interact. energy: -0.081
local terms energy: -79.793765
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -202.456039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.456039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.456039 (E_RNA)
where:
Base-Base interactions energy: -131.689
where: short stacking energy: -75.493
Base-Backbone interact. energy: -0.094
local terms energy: -70.673326
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -11.450
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: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -176.398830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.398830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.398830 (E_RNA)
where:
Base-Base interactions energy: -104.791
where: short stacking energy: -48.675
Base-Backbone interact. energy: -0.050
local terms energy: -71.558338
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -153.056861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.056861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.056861 (E_RNA)
where:
Base-Base interactions energy: -85.990
where: short stacking energy: -44.560
Base-Backbone interact. energy: -0.826
local terms energy: -66.240423
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -147.895037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.895037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.895037 (E_RNA)
where:
Base-Base interactions energy: -85.928
where: short stacking energy: -56.305
Base-Backbone interact. energy: -0.073
local terms energy: -61.894153
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -104.986228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.986228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.986228 (E_RNA)
where:
Base-Base interactions energy: -47.311
where: short stacking energy: -43.296
Base-Backbone interact. energy: -0.993
local terms energy: -56.682004
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -80.974825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.974825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.974825 (E_RNA)
where:
Base-Base interactions energy: -28.712
where: short stacking energy: -27.693
Base-Backbone interact. energy: -0.120
local terms energy: -52.143278
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -9.653
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: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -76.494601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.494601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.494601 (E_RNA)
where:
Base-Base interactions energy: -30.202
where: short stacking energy: -29.369
Base-Backbone interact. energy: -0.221
local terms energy: -46.071266
where:
bonds (distance) C4'-P energy: -5.180
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -1.892
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: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -75.605040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.605040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.605040 (E_RNA)
where:
Base-Base interactions energy: -27.963
where: short stacking energy: -20.202
Base-Backbone interact. energy: -0.111
local terms energy: -47.531508
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -207.869202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.869202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.869202 (E_RNA)
where:
Base-Base interactions energy: -126.553
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.000
local terms energy: -81.315633
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -13.060
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: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -203.830690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.830690 (E_RNA)
where:
Base-Base interactions energy: -135.255
where: short stacking energy: -54.581
Base-Backbone interact. energy: 0.087
local terms energy: -68.663217
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -203.454030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.454030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.454030 (E_RNA)
where:
Base-Base interactions energy: -126.317
where: short stacking energy: -63.628
Base-Backbone interact. energy: -0.733
local terms energy: -76.403542
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -194.883422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.883422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.883422 (E_RNA)
where:
Base-Base interactions energy: -119.791
where: short stacking energy: -59.822
Base-Backbone interact. energy: -1.256
local terms energy: -73.836387
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -158.550320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.550320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.550320 (E_RNA)
where:
Base-Base interactions energy: -96.654
where: short stacking energy: -55.048
Base-Backbone interact. energy: -0.059
local terms energy: -61.837746
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.395
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: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -127.777828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.777828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.777828 (E_RNA)
where:
Base-Base interactions energy: -72.020
where: short stacking energy: -42.662
Base-Backbone interact. energy: -0.166
local terms energy: -55.591874
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -5.213
flat angles P-C4'-P energy: -9.530
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: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -100.219643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.219643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.219643 (E_RNA)
where:
Base-Base interactions energy: -45.403
where: short stacking energy: -24.898
Base-Backbone interact. energy: -0.079
local terms energy: -54.737984
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -95.158756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.158756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.158756 (E_RNA)
where:
Base-Base interactions energy: -42.561
where: short stacking energy: -35.296
Base-Backbone interact. energy: -0.235
local terms energy: -52.362396
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -89.505647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.505647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.505647 (E_RNA)
where:
Base-Base interactions energy: -33.374
where: short stacking energy: -28.980
Base-Backbone interact. energy: -0.421
local terms energy: -55.711036
where:
bonds (distance) C4'-P energy: -5.810
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -89.821955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.821955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.821955 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.030
local terms energy: -50.151350
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -7.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -202.250577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.250577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.250577 (E_RNA)
where:
Base-Base interactions energy: -122.610
where: short stacking energy: -76.142
Base-Backbone interact. energy: -0.007
local terms energy: -79.633522
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -208.790892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.790892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.790892 (E_RNA)
where:
Base-Base interactions energy: -134.617
where: short stacking energy: -60.674
Base-Backbone interact. energy: -0.336
local terms energy: -73.838193
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -205.000637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.000637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.000637 (E_RNA)
where:
Base-Base interactions energy: -134.230
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.243
local terms energy: -70.527880
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -195.518737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.518737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.518737 (E_RNA)
where:
Base-Base interactions energy: -128.301
where: short stacking energy: -57.484
Base-Backbone interact. energy: 0.469
local terms energy: -67.686934
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -13.512
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: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -166.576240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.576240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.576240 (E_RNA)
where:
Base-Base interactions energy: -101.953
where: short stacking energy: -57.415
Base-Backbone interact. energy: -0.044
local terms energy: -64.578688
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -98.456901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.456901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.456901 (E_RNA)
where:
Base-Base interactions energy: -45.885
where: short stacking energy: -41.008
Base-Backbone interact. energy: -0.092
local terms energy: -52.480264
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -86.327698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327698 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -33.063
Base-Backbone interact. energy: -0.940
local terms energy: -45.718183
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -2.831
tors. eta vs tors. theta energy: -0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -82.029151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.029151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.029151 (E_RNA)
where:
Base-Base interactions energy: -31.350
where: short stacking energy: -29.822
Base-Backbone interact. energy: -0.039
local terms energy: -50.640546
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -6.442
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: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -82.890731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.890731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.890731 (E_RNA)
where:
Base-Base interactions energy: -38.985
where: short stacking energy: -15.384
Base-Backbone interact. energy: -0.557
local terms energy: -43.348830
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -78.167386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.167386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.167386 (E_RNA)
where:
Base-Base interactions energy: -29.441
where: short stacking energy: -27.550
Base-Backbone interact. energy: -0.084
local terms energy: -48.641744
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: 0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -208.422814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.422814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.422814 (E_RNA)
where:
Base-Base interactions energy: -138.793
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.238
local terms energy: -69.391103
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -196.273275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.273275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.273275 (E_RNA)
where:
Base-Base interactions energy: -125.844
where: short stacking energy: -60.970
Base-Backbone interact. energy: -0.602
local terms energy: -69.827508
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -201.781634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.781634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.781634 (E_RNA)
where:
Base-Base interactions energy: -133.504
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.209
local terms energy: -68.068340
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -16.463
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: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -193.264745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.264745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.264745 (E_RNA)
where:
Base-Base interactions energy: -124.223
where: short stacking energy: -61.564
Base-Backbone interact. energy: -0.348
local terms energy: -68.692967
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -157.516708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.516708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.516708 (E_RNA)
where:
Base-Base interactions energy: -102.204
where: short stacking energy: -46.921
Base-Backbone interact. energy: 0.696
local terms energy: -56.008686
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: -10.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -110.132788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.132788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.132788 (E_RNA)
where:
Base-Base interactions energy: -53.757
where: short stacking energy: -50.435
Base-Backbone interact. energy: -0.194
local terms energy: -56.181872
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -13.725
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: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -83.299607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.299607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.299607 (E_RNA)
where:
Base-Base interactions energy: -26.433
where: short stacking energy: -26.433
Base-Backbone interact. energy: -0.036
local terms energy: -56.830113
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -88.140486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.140486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.140486 (E_RNA)
where:
Base-Base interactions energy: -45.964
where: short stacking energy: -27.656
Base-Backbone interact. energy: 0.368
local terms energy: -42.544469
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -102.676353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.676353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.676353 (E_RNA)
where:
Base-Base interactions energy: -41.899
where: short stacking energy: -20.218
Base-Backbone interact. energy: -0.540
local terms energy: -60.236959
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -72.444898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.444898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.444898 (E_RNA)
where:
Base-Base interactions energy: -37.024
where: short stacking energy: -26.437
Base-Backbone interact. energy: -0.175
local terms energy: -35.245310
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -0.357
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -205.131510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.131510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.131510 (E_RNA)
where:
Base-Base interactions energy: -139.106
where: short stacking energy: -60.946
Base-Backbone interact. energy: -2.033
local terms energy: -63.992211
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -6.208
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: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -199.538075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.538075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.538075 (E_RNA)
where:
Base-Base interactions energy: -133.558
where: short stacking energy: -59.051
Base-Backbone interact. energy: -0.283
local terms energy: -65.697435
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -210.578428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.578428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.578428 (E_RNA)
where:
Base-Base interactions energy: -133.419
where: short stacking energy: -67.993
Base-Backbone interact. energy: 0.885
local terms energy: -78.044455
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -189.191231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.191231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.191231 (E_RNA)
where:
Base-Base interactions energy: -123.613
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.793
local terms energy: -64.785242
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -14.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -174.847648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.847648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.847648 (E_RNA)
where:
Base-Base interactions energy: -100.599
where: short stacking energy: -56.767
Base-Backbone interact. energy: -0.808
local terms energy: -73.440887
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -19.639
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: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -112.208623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.208623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.208623 (E_RNA)
where:
Base-Base interactions energy: -48.399
where: short stacking energy: -41.563
Base-Backbone interact. energy: -0.038
local terms energy: -63.771629
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -82.849263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.849263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.849263 (E_RNA)
where:
Base-Base interactions energy: -38.622
where: short stacking energy: -28.805
Base-Backbone interact. energy: -0.265
local terms energy: -43.961969
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -8.155
flat angles P-C4'-P energy: -2.571
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -93.190532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.190532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.190532 (E_RNA)
where:
Base-Base interactions energy: -41.120
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.355
local terms energy: -51.715802
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -2.629
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: 349
Temperature: 1.300000
Total energy: -114.842637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.842637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.842637 (E_RNA)
where:
Base-Base interactions energy: -59.069
where: short stacking energy: -39.489
Base-Backbone interact. energy: -0.188
local terms energy: -55.585772
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -100.151153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.151153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.151153 (E_RNA)
where:
Base-Base interactions energy: -51.328
where: short stacking energy: -40.451
Base-Backbone interact. energy: 3.222
local terms energy: -52.044466
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -8.063
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -215.774253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.774253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.774253 (E_RNA)
where:
Base-Base interactions energy: -135.553
where: short stacking energy: -74.539
Base-Backbone interact. energy: -0.629
local terms energy: -79.591913
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -202.809905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.809905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.809905 (E_RNA)
where:
Base-Base interactions energy: -132.450
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.167
local terms energy: -70.192874
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -195.545361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.545361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.545361 (E_RNA)
where:
Base-Base interactions energy: -123.383
where: short stacking energy: -48.532
Base-Backbone interact. energy: -0.348
local terms energy: -71.813828
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -12.837
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: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -203.173127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.173127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.173127 (E_RNA)
where:
Base-Base interactions energy: -126.030
where: short stacking energy: -59.084
Base-Backbone interact. energy: -0.485
local terms energy: -76.657798
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.302
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: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -185.515891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.515891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.515891 (E_RNA)
where:
Base-Base interactions energy: -117.346
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.103
local terms energy: -68.067184
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -102.264274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.264274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.264274 (E_RNA)
where:
Base-Base interactions energy: -44.180
where: short stacking energy: -29.348
Base-Backbone interact. energy: -0.161
local terms energy: -57.923285
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -4.568
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: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -94.642917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.642917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.642917 (E_RNA)
where:
Base-Base interactions energy: -41.820
where: short stacking energy: -34.411
Base-Backbone interact. energy: 0.647
local terms energy: -53.469909
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -100.048610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.048610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.048610 (E_RNA)
where:
Base-Base interactions energy: -41.300
where: short stacking energy: -37.288
Base-Backbone interact. energy: -0.172
local terms energy: -58.577185
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -84.507215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.507215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.507215 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -32.435
Base-Backbone interact. energy: -0.273
local terms energy: -44.472531
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -4.499
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: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -76.570686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.570686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.570686 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -25.438
Base-Backbone interact. energy: -0.303
local terms energy: -40.859707
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -1.070
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -207.129733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.129733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.129733 (E_RNA)
where:
Base-Base interactions energy: -133.465
where: short stacking energy: -69.954
Base-Backbone interact. energy: -0.046
local terms energy: -73.618784
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -199.809977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.809977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.809977 (E_RNA)
where:
Base-Base interactions energy: -128.442
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.040
local terms energy: -71.328140
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -203.223830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.223830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223830 (E_RNA)
where:
Base-Base interactions energy: -126.111
where: short stacking energy: -62.501
Base-Backbone interact. energy: -0.570
local terms energy: -76.543314
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -184.922669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.922669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.922669 (E_RNA)
where:
Base-Base interactions energy: -112.496
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.230
local terms energy: -72.196226
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -17.540
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: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -193.653434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.653434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.653434 (E_RNA)
where:
Base-Base interactions energy: -120.727
where: short stacking energy: -63.051
Base-Backbone interact. energy: 0.351
local terms energy: -73.278042
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -8.206
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: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -158.567118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.567118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.567118 (E_RNA)
where:
Base-Base interactions energy: -93.350
where: short stacking energy: -49.034
Base-Backbone interact. energy: -0.171
local terms energy: -65.046900
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -89.403764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403764 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -29.902
Base-Backbone interact. energy: -0.051
local terms energy: -55.733877
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -89.058435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.058435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.058435 (E_RNA)
where:
Base-Base interactions energy: -35.747
where: short stacking energy: -29.298
Base-Backbone interact. energy: -0.157
local terms energy: -53.154422
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -10.642
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: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -87.347671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.347671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.347671 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.041
local terms energy: -54.536529
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -5.731
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: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -88.103802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.103802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.103802 (E_RNA)
where:
Base-Base interactions energy: -37.808
where: short stacking energy: -18.643
Base-Backbone interact. energy: -0.282
local terms energy: -50.013142
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -5.830
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: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -214.099688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.099688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.099688 (E_RNA)
where:
Base-Base interactions energy: -138.144
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.171
local terms energy: -75.784672
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -205.245708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.245708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.245708 (E_RNA)
where:
Base-Base interactions energy: -125.967
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.003
local terms energy: -79.274885
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -210.115731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.115731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.115731 (E_RNA)
where:
Base-Base interactions energy: -142.812
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.814
local terms energy: -66.489711
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -177.441612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.441612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.441612 (E_RNA)
where:
Base-Base interactions energy: -104.499
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.001
local terms energy: -72.942157
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -185.323073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.323073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.323073 (E_RNA)
where:
Base-Base interactions energy: -115.762
where: short stacking energy: -50.888
Base-Backbone interact. energy: -0.995
local terms energy: -68.565754
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -17.171
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: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -147.400703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.400703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.400703 (E_RNA)
where:
Base-Base interactions energy: -87.004
where: short stacking energy: -38.963
Base-Backbone interact. energy: -0.718
local terms energy: -59.678641
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -10.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -99.006785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.006785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.006785 (E_RNA)
where:
Base-Base interactions energy: -45.821
where: short stacking energy: -29.552
Base-Backbone interact. energy: -0.808
local terms energy: -52.377904
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -10.047
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -6.735
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: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -95.966947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.966947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.966947 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -36.103
Base-Backbone interact. energy: -0.138
local terms energy: -59.725679
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -10.631
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: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -85.089756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.089756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.089756 (E_RNA)
where:
Base-Base interactions energy: -38.094
where: short stacking energy: -24.669
Base-Backbone interact. energy: 0.207
local terms energy: -47.202274
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -75.828292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.828292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.828292 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -23.192
Base-Backbone interact. energy: -0.400
local terms energy: -45.237904
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -0.914
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: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -212.477841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.477841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.477841 (E_RNA)
where:
Base-Base interactions energy: -133.790
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.834
local terms energy: -77.853345
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -18.120
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: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -207.715120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.715120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.715120 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -69.895
Base-Backbone interact. energy: -0.561
local terms energy: -74.878576
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -210.946311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.946311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.946311 (E_RNA)
where:
Base-Base interactions energy: -140.913
where: short stacking energy: -55.140
Base-Backbone interact. energy: -0.501
local terms energy: -69.531793
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -10.479
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: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -191.573120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.573120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.573120 (E_RNA)
where:
Base-Base interactions energy: -123.090
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.086
local terms energy: -68.397403
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -172.214773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.214773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.214773 (E_RNA)
where:
Base-Base interactions energy: -102.499
where: short stacking energy: -52.038
Base-Backbone interact. energy: -0.014
local terms energy: -69.701650
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -10.791
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: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -97.027262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.027262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.027262 (E_RNA)
where:
Base-Base interactions energy: -32.016
where: short stacking energy: -30.434
Base-Backbone interact. energy: -0.051
local terms energy: -64.960362
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -145.109882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.109882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.109882 (E_RNA)
where:
Base-Base interactions energy: -86.029
where: short stacking energy: -51.308
Base-Backbone interact. energy: -0.327
local terms energy: -58.753594
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -10.619
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: 353
Temperature: 1.250000
Total energy: -88.789809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.789809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.789809 (E_RNA)
where:
Base-Base interactions energy: -43.816
where: short stacking energy: -37.605
Base-Backbone interact. energy: -0.098
local terms energy: -44.875493
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -2.173
tors. eta vs tors. theta energy: -4.312
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: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -92.421135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.421135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.421135 (E_RNA)
where:
Base-Base interactions energy: -34.341
where: short stacking energy: -28.600
Base-Backbone interact. energy: -0.078
local terms energy: -58.001347
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -79.536220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.536220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.536220 (E_RNA)
where:
Base-Base interactions energy: -31.671
where: short stacking energy: -30.439
Base-Backbone interact. energy: -0.188
local terms energy: -47.676779
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -213.297033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.297033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.297033 (E_RNA)
where:
Base-Base interactions energy: -132.243
where: short stacking energy: -65.040
Base-Backbone interact. energy: -0.040
local terms energy: -81.013486
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -213.777614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.777614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.777614 (E_RNA)
where:
Base-Base interactions energy: -140.195
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.152
local terms energy: -73.430643
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -192.901496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.901496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.901496 (E_RNA)
where:
Base-Base interactions energy: -121.714
where: short stacking energy: -59.401
Base-Backbone interact. energy: -0.266
local terms energy: -70.921244
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -10.044
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: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -205.287306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.287306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.287306 (E_RNA)
where:
Base-Base interactions energy: -136.733
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.079
local terms energy: -68.475988
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -167.029027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.029027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.029027 (E_RNA)
where:
Base-Base interactions energy: -101.439
where: short stacking energy: -52.308
Base-Backbone interact. energy: -0.005
local terms energy: -65.584178
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -17.341
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: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -92.539870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.539870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.539870 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -42.887
Base-Backbone interact. energy: -0.134
local terms energy: -49.518986
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -1.633
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -146.033509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.033509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.033509 (E_RNA)
where:
Base-Base interactions energy: -83.217
where: short stacking energy: -45.680
Base-Backbone interact. energy: -0.107
local terms energy: -62.709230
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -99.905890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.905890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.905890 (E_RNA)
where:
Base-Base interactions energy: -39.806
where: short stacking energy: -39.806
Base-Backbone interact. energy: -0.001
local terms energy: -60.099430
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -9.469
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: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -86.011658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.011658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.011658 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -16.681
Base-Backbone interact. energy: 1.155
local terms energy: -46.747189
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: 4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -81.783322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.783322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.783322 (E_RNA)
where:
Base-Base interactions energy: -32.695
where: short stacking energy: -32.695
Base-Backbone interact. energy: -0.154
local terms energy: -48.934473
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -215.579819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.579819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.579819 (E_RNA)
where:
Base-Base interactions energy: -139.808
where: short stacking energy: -73.554
Base-Backbone interact. energy: -0.055
local terms energy: -75.716761
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -211.735119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.735119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.735119 (E_RNA)
where:
Base-Base interactions energy: -138.338
where: short stacking energy: -71.538
Base-Backbone interact. energy: -1.218
local terms energy: -72.179732
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -191.423308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.423308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.423308 (E_RNA)
where:
Base-Base interactions energy: -120.743
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.025
local terms energy: -70.655086
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -201.559705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.559705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.559705 (E_RNA)
where:
Base-Base interactions energy: -130.052
where: short stacking energy: -66.218
Base-Backbone interact. energy: -1.045
local terms energy: -70.462483
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -19.429
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: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -173.995255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.995255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.995255 (E_RNA)
where:
Base-Base interactions energy: -109.220
where: short stacking energy: -54.938
Base-Backbone interact. energy: -0.032
local terms energy: -64.743230
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -146.904783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.904783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.904783 (E_RNA)
where:
Base-Base interactions energy: -90.410
where: short stacking energy: -38.777
Base-Backbone interact. energy: -0.585
local terms energy: -55.910090
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -9.407
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -90.093289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.093289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.093289 (E_RNA)
where:
Base-Base interactions energy: -41.612
where: short stacking energy: -30.384
Base-Backbone interact. energy: 0.150
local terms energy: -48.630906
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -86.082318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.082318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.082318 (E_RNA)
where:
Base-Base interactions energy: -34.236
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.090
local terms energy: -51.756809
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.082
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: 355
Temperature: 1.300000
Total energy: -88.733599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.733599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.733599 (E_RNA)
where:
Base-Base interactions energy: -31.811
where: short stacking energy: -31.811
Base-Backbone interact. energy: -0.002
local terms energy: -56.920581
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -2.220
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -74.920917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.920917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.920917 (E_RNA)
where:
Base-Base interactions energy: -32.707
where: short stacking energy: -27.110
Base-Backbone interact. energy: 1.762
local terms energy: -43.975540
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -7.469
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: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -218.953966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.953966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.953966 (E_RNA)
where:
Base-Base interactions energy: -138.339
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.290
local terms energy: -80.325016
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -21.483
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: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -205.785757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.785757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.785757 (E_RNA)
where:
Base-Base interactions energy: -134.499
where: short stacking energy: -67.321
Base-Backbone interact. energy: -0.033
local terms energy: -71.254160
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -173.574478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.574478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.574478 (E_RNA)
where:
Base-Base interactions energy: -108.307
where: short stacking energy: -48.693
Base-Backbone interact. energy: -0.405
local terms energy: -64.861785
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -180.408955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.408955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.408955 (E_RNA)
where:
Base-Base interactions energy: -115.661
where: short stacking energy: -59.384
Base-Backbone interact. energy: -0.033
local terms energy: -64.714565
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -14.839
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: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -161.172021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.172021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.172021 (E_RNA)
where:
Base-Base interactions energy: -92.088
where: short stacking energy: -50.699
Base-Backbone interact. energy: -0.225
local terms energy: -68.858795
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -8.022
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: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -165.244138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.244138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.244138 (E_RNA)
where:
Base-Base interactions energy: -102.685
where: short stacking energy: -52.443
Base-Backbone interact. energy: -0.087
local terms energy: -62.471362
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -8.177
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: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -97.413437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.413437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.413437 (E_RNA)
where:
Base-Base interactions energy: -44.080
where: short stacking energy: -40.376
Base-Backbone interact. energy: -0.164
local terms energy: -53.169634
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -100.361012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.361012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.361012 (E_RNA)
where:
Base-Base interactions energy: -44.162
where: short stacking energy: -44.162
Base-Backbone interact. energy: 0.762
local terms energy: -56.960978
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -79.493920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.493920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.493920 (E_RNA)
where:
Base-Base interactions energy: -28.143
where: short stacking energy: -23.598
Base-Backbone interact. energy: -0.218
local terms energy: -51.133258
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -3.129
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -78.021556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.021556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.021556 (E_RNA)
where:
Base-Base interactions energy: -24.405
where: short stacking energy: -24.405
Base-Backbone interact. energy: -0.011
local terms energy: -53.605096
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -223.590734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.590734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.590734 (E_RNA)
where:
Base-Base interactions energy: -143.376
where: short stacking energy: -68.570
Base-Backbone interact. energy: -0.047
local terms energy: -80.167874
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -213.257435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.257435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.257435 (E_RNA)
where:
Base-Base interactions energy: -133.806
where: short stacking energy: -68.242
Base-Backbone interact. energy: -0.020
local terms energy: -79.431042
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -169.859257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.859257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.859257 (E_RNA)
where:
Base-Base interactions energy: -105.128
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.053
local terms energy: -64.678965
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -9.585
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: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -156.803137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.803137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.803137 (E_RNA)
where:
Base-Base interactions energy: -92.848
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.014
local terms energy: -63.941413
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -174.947358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.947358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.947358 (E_RNA)
where:
Base-Base interactions energy: -108.808
where: short stacking energy: -52.980
Base-Backbone interact. energy: -0.164
local terms energy: -65.975377
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -160.016045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.016045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.016045 (E_RNA)
where:
Base-Base interactions energy: -95.907
where: short stacking energy: -40.541
Base-Backbone interact. energy: -0.147
local terms energy: -63.961880
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -91.939453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.939453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.939453 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -31.056
Base-Backbone interact. energy: -0.347
local terms energy: -55.854024
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -83.454777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.454777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.454777 (E_RNA)
where:
Base-Base interactions energy: -34.880
where: short stacking energy: -32.929
Base-Backbone interact. energy: 0.542
local terms energy: -49.117068
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -102.441038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.441038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.441038 (E_RNA)
where:
Base-Base interactions energy: -58.486
where: short stacking energy: -23.411
Base-Backbone interact. energy: -0.235
local terms energy: -43.719389
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -8.292
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: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -76.766847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.766847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.766847 (E_RNA)
where:
Base-Base interactions energy: -27.693
where: short stacking energy: -25.447
Base-Backbone interact. energy: -0.268
local terms energy: -48.806465
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -210.621237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.621237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.621237 (E_RNA)
where:
Base-Base interactions energy: -133.452
where: short stacking energy: -61.865
Base-Backbone interact. energy: -0.634
local terms energy: -76.534602
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -207.633040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.633040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.633040 (E_RNA)
where:
Base-Base interactions energy: -131.796
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.311
local terms energy: -75.525940
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -190.537790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.537790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.537790 (E_RNA)
where:
Base-Base interactions energy: -120.110
where: short stacking energy: -56.555
Base-Backbone interact. energy: -0.003
local terms energy: -70.424458
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -12.999
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: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -169.001134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.001134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.001134 (E_RNA)
where:
Base-Base interactions energy: -101.078
where: short stacking energy: -59.592
Base-Backbone interact. energy: -0.330
local terms energy: -67.593539
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -171.206039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.206039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.206039 (E_RNA)
where:
Base-Base interactions energy: -105.980
where: short stacking energy: -58.215
Base-Backbone interact. energy: 1.652
local terms energy: -66.878200
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -175.000790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.000790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.000790 (E_RNA)
where:
Base-Base interactions energy: -104.803
where: short stacking energy: -60.121
Base-Backbone interact. energy: -0.007
local terms energy: -70.190334
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -101.769661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.769661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.769661 (E_RNA)
where:
Base-Base interactions energy: -44.780
where: short stacking energy: -43.706
Base-Backbone interact. energy: -0.173
local terms energy: -56.817264
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -10.160
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: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -92.233325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.233325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.233325 (E_RNA)
where:
Base-Base interactions energy: -33.616
where: short stacking energy: -33.616
Base-Backbone interact. energy: -0.113
local terms energy: -58.504991
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -100.179625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.179625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.179625 (E_RNA)
where:
Base-Base interactions energy: -34.934
where: short stacking energy: -30.751
Base-Backbone interact. energy: 0.101
local terms energy: -65.347016
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -80.623541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.623541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.623541 (E_RNA)
where:
Base-Base interactions energy: -34.318
where: short stacking energy: -30.206
Base-Backbone interact. energy: -0.211
local terms energy: -46.094361
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -217.489054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.489054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.489054 (E_RNA)
where:
Base-Base interactions energy: -139.917
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.349
local terms energy: -77.222899
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -200.819445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.819445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.819445 (E_RNA)
where:
Base-Base interactions energy: -123.116
where: short stacking energy: -65.614
Base-Backbone interact. energy: -0.440
local terms energy: -77.263512
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -215.418076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.418076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.418076 (E_RNA)
where:
Base-Base interactions energy: -138.391
where: short stacking energy: -73.507
Base-Backbone interact. energy: -0.124
local terms energy: -76.903391
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -165.296919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.296919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.296919 (E_RNA)
where:
Base-Base interactions energy: -101.831
where: short stacking energy: -49.546
Base-Backbone interact. energy: -0.416
local terms energy: -63.049966
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -153.307545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.307545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.307545 (E_RNA)
where:
Base-Base interactions energy: -88.715
where: short stacking energy: -59.007
Base-Backbone interact. energy: -0.169
local terms energy: -64.423453
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -6.961
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: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -165.429432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.429432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.429432 (E_RNA)
where:
Base-Base interactions energy: -100.750
where: short stacking energy: -47.498
Base-Backbone interact. energy: -0.994
local terms energy: -63.685244
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -11.313
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: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -105.505133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.505133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.505133 (E_RNA)
where:
Base-Base interactions energy: -53.271
where: short stacking energy: -24.291
Base-Backbone interact. energy: -0.575
local terms energy: -51.659092
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -83.476547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.476547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.476547 (E_RNA)
where:
Base-Base interactions energy: -35.806
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.165
local terms energy: -47.504805
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -2.888
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: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -91.708370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.708370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.708370 (E_RNA)
where:
Base-Base interactions energy: -41.232
where: short stacking energy: -41.232
Base-Backbone interact. energy: -0.063
local terms energy: -50.412893
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -76.331103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.331103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.331103 (E_RNA)
where:
Base-Base interactions energy: -24.784
where: short stacking energy: -24.784
Base-Backbone interact. energy: 0.097
local terms energy: -51.644588
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -203.545396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.545396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.545396 (E_RNA)
where:
Base-Base interactions energy: -124.558
where: short stacking energy: -75.568
Base-Backbone interact. energy: -0.308
local terms energy: -78.679047
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -210.722879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.722879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.722879 (E_RNA)
where:
Base-Base interactions energy: -131.854
where: short stacking energy: -69.458
Base-Backbone interact. energy: -0.071
local terms energy: -78.797665
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -195.164319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.164319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.164319 (E_RNA)
where:
Base-Base interactions energy: -129.159
where: short stacking energy: -57.623
Base-Backbone interact. energy: -0.313
local terms energy: -65.692668
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -6.687
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: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -157.109305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.109305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.109305 (E_RNA)
where:
Base-Base interactions energy: -102.231
where: short stacking energy: -54.872
Base-Backbone interact. energy: -0.006
local terms energy: -54.871884
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.096
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: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -181.923430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.923430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.923430 (E_RNA)
where:
Base-Base interactions energy: -119.389
where: short stacking energy: -67.826
Base-Backbone interact. energy: -0.012
local terms energy: -62.523227
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -8.490
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: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -159.811536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.811536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.811536 (E_RNA)
where:
Base-Base interactions energy: -100.718
where: short stacking energy: -46.378
Base-Backbone interact. energy: -1.290
local terms energy: -57.803013
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -4.062
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: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -83.476121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.476121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.476121 (E_RNA)
where:
Base-Base interactions energy: -38.341
where: short stacking energy: -24.133
Base-Backbone interact. energy: -0.017
local terms energy: -45.117920
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: 1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -79.597240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.597240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.597240 (E_RNA)
where:
Base-Base interactions energy: -29.636
where: short stacking energy: -23.091
Base-Backbone interact. energy: -0.233
local terms energy: -49.728419
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -1.612
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: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -79.246001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.246001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.246001 (E_RNA)
where:
Base-Base interactions energy: -27.787
where: short stacking energy: -19.035
Base-Backbone interact. energy: 1.257
local terms energy: -52.716636
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -70.280053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.280053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.280053 (E_RNA)
where:
Base-Base interactions energy: -26.182
where: short stacking energy: -24.868
Base-Backbone interact. energy: 1.825
local terms energy: -45.922957
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: 3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -203.120628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.120628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.120628 (E_RNA)
where:
Base-Base interactions energy: -131.810
where: short stacking energy: -57.555
Base-Backbone interact. energy: -0.328
local terms energy: -70.982660
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -205.234469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.234469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.234469 (E_RNA)
where:
Base-Base interactions energy: -131.305
where: short stacking energy: -67.806
Base-Backbone interact. energy: -0.049
local terms energy: -73.879966
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -11.855
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: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -203.685866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.685866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.685866 (E_RNA)
where:
Base-Base interactions energy: -135.413
where: short stacking energy: -62.698
Base-Backbone interact. energy: -0.180
local terms energy: -68.092587
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -185.744161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.744161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.744161 (E_RNA)
where:
Base-Base interactions energy: -114.662
where: short stacking energy: -62.727
Base-Backbone interact. energy: -0.548
local terms energy: -70.533684
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -10.507
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: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -161.109960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.109960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.109960 (E_RNA)
where:
Base-Base interactions energy: -96.694
where: short stacking energy: -56.889
Base-Backbone interact. energy: -0.085
local terms energy: -64.330478
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -10.405
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: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -154.914954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.914954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.914954 (E_RNA)
where:
Base-Base interactions energy: -95.749
where: short stacking energy: -42.188
Base-Backbone interact. energy: -0.233
local terms energy: -58.933070
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -101.338426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.338426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.338426 (E_RNA)
where:
Base-Base interactions energy: -40.880
where: short stacking energy: -35.747
Base-Backbone interact. energy: 0.603
local terms energy: -61.061588
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -95.180629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.180629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.180629 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -34.812
Base-Backbone interact. energy: -0.101
local terms energy: -58.176939
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -4.449
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: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -89.236053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.236053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.236053 (E_RNA)
where:
Base-Base interactions energy: -35.755
where: short stacking energy: -30.545
Base-Backbone interact. energy: -0.046
local terms energy: -53.435417
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -92.998153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.998153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.998153 (E_RNA)
where:
Base-Base interactions energy: -45.121
where: short stacking energy: -34.346
Base-Backbone interact. energy: -1.363
local terms energy: -46.514198
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -218.851511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.851511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.851511 (E_RNA)
where:
Base-Base interactions energy: -139.700
where: short stacking energy: -73.423
Base-Backbone interact. energy: -0.169
local terms energy: -78.983043
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -210.481596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.481596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.481596 (E_RNA)
where:
Base-Base interactions energy: -132.058
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.498
local terms energy: -77.926083
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -185.192690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.192690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.192690 (E_RNA)
where:
Base-Base interactions energy: -118.981
where: short stacking energy: -63.453
Base-Backbone interact. energy: -0.254
local terms energy: -65.957363
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -13.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -205.717366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.717366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.717366 (E_RNA)
where:
Base-Base interactions energy: -129.022
where: short stacking energy: -69.093
Base-Backbone interact. energy: -0.171
local terms energy: -76.524945
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -163.352342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.352342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.352342 (E_RNA)
where:
Base-Base interactions energy: -95.307
where: short stacking energy: -49.749
Base-Backbone interact. energy: -0.146
local terms energy: -67.899522
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -12.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -146.092594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.092594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.092594 (E_RNA)
where:
Base-Base interactions energy: -86.298
where: short stacking energy: -46.069
Base-Backbone interact. energy: -0.119
local terms energy: -59.675720
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -17.092
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: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -91.481988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.481988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.481988 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -31.789
Base-Backbone interact. energy: 3.549
local terms energy: -61.845187
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -95.791349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.791349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.791349 (E_RNA)
where:
Base-Base interactions energy: -36.446
where: short stacking energy: -29.073
Base-Backbone interact. energy: -0.108
local terms energy: -59.236888
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -85.665415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.665415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.665415 (E_RNA)
where:
Base-Base interactions energy: -35.178
where: short stacking energy: -30.960
Base-Backbone interact. energy: -0.245
local terms energy: -50.242648
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -84.202197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.202197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.202197 (E_RNA)
where:
Base-Base interactions energy: -38.332
where: short stacking energy: -37.758
Base-Backbone interact. energy: -0.009
local terms energy: -45.860666
where:
bonds (distance) C4'-P energy: -5.319
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -211.847531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.847531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.847531 (E_RNA)
where:
Base-Base interactions energy: -136.587
where: short stacking energy: -64.608
Base-Backbone interact. energy: -0.037
local terms energy: -75.224122
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -19.790
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: 363
Temperature: 0.950000
Total energy: -211.585015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.585015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.585015 (E_RNA)
where:
Base-Base interactions energy: -136.073
where: short stacking energy: -68.025
Base-Backbone interact. energy: -0.005
local terms energy: -75.507099
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -213.773606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.773606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.773606 (E_RNA)
where:
Base-Base interactions energy: -139.204
where: short stacking energy: -72.741
Base-Backbone interact. energy: -0.004
local terms energy: -74.566220
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -174.126933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.126933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.126933 (E_RNA)
where:
Base-Base interactions energy: -104.214
where: short stacking energy: -52.439
Base-Backbone interact. energy: 0.363
local terms energy: -70.276011
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -13.293
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: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -153.523213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.523213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.523213 (E_RNA)
where:
Base-Base interactions energy: -89.958
where: short stacking energy: -56.143
Base-Backbone interact. energy: -0.265
local terms energy: -63.300861
where:
bonds (distance) C4'-P energy: -8.081
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -12.139
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: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -98.490338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.490338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.490338 (E_RNA)
where:
Base-Base interactions energy: -42.803
where: short stacking energy: -35.552
Base-Backbone interact. energy: -0.162
local terms energy: -55.525469
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -89.839476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.839476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.839476 (E_RNA)
where:
Base-Base interactions energy: -34.141
where: short stacking energy: -13.957
Base-Backbone interact. energy: -0.404
local terms energy: -55.294326
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -92.401305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.401305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.401305 (E_RNA)
where:
Base-Base interactions energy: -38.371
where: short stacking energy: -27.500
Base-Backbone interact. energy: -0.055
local terms energy: -53.975302
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -2.266
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: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -91.268083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.268083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.268083 (E_RNA)
where:
Base-Base interactions energy: -37.399
where: short stacking energy: -35.654
Base-Backbone interact. energy: -0.038
local terms energy: -53.830704
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -71.984570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.984570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.984570 (E_RNA)
where:
Base-Base interactions energy: -23.824
where: short stacking energy: -23.640
Base-Backbone interact. energy: -0.147
local terms energy: -48.013160
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -210.568229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.568229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.568229 (E_RNA)
where:
Base-Base interactions energy: -138.874
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.086
local terms energy: -71.608889
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -16.816
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: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -210.271335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.271335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.271335 (E_RNA)
where:
Base-Base interactions energy: -135.353
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.686
local terms energy: -74.231580
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -198.765062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.765062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.765062 (E_RNA)
where:
Base-Base interactions energy: -127.489
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.011
local terms energy: -71.264612
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -18.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -171.780136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.780136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.780136 (E_RNA)
where:
Base-Base interactions energy: -106.519
where: short stacking energy: -52.349
Base-Backbone interact. energy: -0.001
local terms energy: -65.260089
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -157.623102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.623102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.623102 (E_RNA)
where:
Base-Base interactions energy: -102.273
where: short stacking energy: -46.067
Base-Backbone interact. energy: -0.220
local terms energy: -55.129437
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -5.812
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: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -103.784231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.784231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.784231 (E_RNA)
where:
Base-Base interactions energy: -50.433
where: short stacking energy: -26.906
Base-Backbone interact. energy: 0.227
local terms energy: -53.577399
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -8.672
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: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -96.086567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.086567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.086567 (E_RNA)
where:
Base-Base interactions energy: -48.743
where: short stacking energy: -37.976
Base-Backbone interact. energy: 1.421
local terms energy: -48.765235
where:
bonds (distance) C4'-P energy: -6.480
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -5.923
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: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -94.888650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.888650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.888650 (E_RNA)
where:
Base-Base interactions energy: -41.743
where: short stacking energy: -39.099
Base-Backbone interact. energy: -0.155
local terms energy: -52.989705
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -86.490307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.490307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.490307 (E_RNA)
where:
Base-Base interactions energy: -34.773
where: short stacking energy: -25.754
Base-Backbone interact. energy: -0.054
local terms energy: -51.663693
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -71.664945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.664945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.664945 (E_RNA)
where:
Base-Base interactions energy: -23.605
where: short stacking energy: -22.828
Base-Backbone interact. energy: -0.351
local terms energy: -47.709695
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -212.497636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.497636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.497636 (E_RNA)
where:
Base-Base interactions energy: -132.742
where: short stacking energy: -66.521
Base-Backbone interact. energy: -0.072
local terms energy: -79.683615
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -19.200
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: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -204.884993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.884993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.884993 (E_RNA)
where:
Base-Base interactions energy: -133.206
where: short stacking energy: -67.918
Base-Backbone interact. energy: -0.183
local terms energy: -71.496809
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -190.582070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.582070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.582070 (E_RNA)
where:
Base-Base interactions energy: -120.162
where: short stacking energy: -57.010
Base-Backbone interact. energy: -0.665
local terms energy: -69.755198
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -14.994
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: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -169.058115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.058115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.058115 (E_RNA)
where:
Base-Base interactions energy: -109.521
where: short stacking energy: -41.240
Base-Backbone interact. energy: -0.608
local terms energy: -58.928218
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -12.625
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: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -162.706108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.706108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.706108 (E_RNA)
where:
Base-Base interactions energy: -94.737
where: short stacking energy: -52.763
Base-Backbone interact. energy: -0.120
local terms energy: -67.849360
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -97.935371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.935371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.935371 (E_RNA)
where:
Base-Base interactions energy: -47.150
where: short stacking energy: -32.963
Base-Backbone interact. energy: 1.875
local terms energy: -52.660070
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -9.619
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: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -108.720813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.720813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.720813 (E_RNA)
where:
Base-Base interactions energy: -56.621
where: short stacking energy: -43.234
Base-Backbone interact. energy: -0.522
local terms energy: -51.577987
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -9.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -92.780801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.780801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.780801 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -29.085
Base-Backbone interact. energy: -0.569
local terms energy: -53.914101
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -77.626492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.626492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.626492 (E_RNA)
where:
Base-Base interactions energy: -24.035
where: short stacking energy: -24.035
Base-Backbone interact. energy: -0.180
local terms energy: -53.411838
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -5.552
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: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -79.413899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.413899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.413899 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -31.051
Base-Backbone interact. energy: -0.222
local terms energy: -45.384324
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: 1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -213.146983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.146983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.146983 (E_RNA)
where:
Base-Base interactions energy: -142.224
where: short stacking energy: -65.268
Base-Backbone interact. energy: -0.051
local terms energy: -70.871461
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -208.931883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.931883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.931883 (E_RNA)
where:
Base-Base interactions energy: -140.192
where: short stacking energy: -62.407
Base-Backbone interact. energy: -0.220
local terms energy: -68.519360
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -13.551
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: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -182.520383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.520383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.520383 (E_RNA)
where:
Base-Base interactions energy: -110.933
where: short stacking energy: -57.334
Base-Backbone interact. energy: -0.020
local terms energy: -71.567474
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -8.843
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: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -177.217969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.217969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.217969 (E_RNA)
where:
Base-Base interactions energy: -111.527
where: short stacking energy: -55.230
Base-Backbone interact. energy: -0.434
local terms energy: -65.256637
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -154.272283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.272283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.272283 (E_RNA)
where:
Base-Base interactions energy: -89.660
where: short stacking energy: -43.798
Base-Backbone interact. energy: 0.013
local terms energy: -64.625211
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -106.461960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.461960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.461960 (E_RNA)
where:
Base-Base interactions energy: -57.403
where: short stacking energy: -31.216
Base-Backbone interact. energy: -0.197
local terms energy: -48.862055
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -5.967
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -84.004014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.004014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.004014 (E_RNA)
where:
Base-Base interactions energy: -40.763
where: short stacking energy: -39.555
Base-Backbone interact. energy: -0.056
local terms energy: -43.185365
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -8.720
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -85.587896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587896 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -31.702
Base-Backbone interact. energy: -0.322
local terms energy: -45.616325
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -78.254842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.254842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.254842 (E_RNA)
where:
Base-Base interactions energy: -24.685
where: short stacking energy: -23.754
Base-Backbone interact. energy: 0.581
local terms energy: -54.150250
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -76.680950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.680950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.680950 (E_RNA)
where:
Base-Base interactions energy: -30.449
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.226
local terms energy: -46.006272
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: 2.174
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: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -213.234296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.234296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.234296 (E_RNA)
where:
Base-Base interactions energy: -137.659
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.058
local terms energy: -75.517719
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -19.683
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: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -201.205468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.205468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.205468 (E_RNA)
where:
Base-Base interactions energy: -123.274
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.015
local terms energy: -77.917115
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -20.529
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: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -192.494152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.494152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.494152 (E_RNA)
where:
Base-Base interactions energy: -123.893
where: short stacking energy: -62.630
Base-Backbone interact. energy: -0.010
local terms energy: -68.590588
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -169.970265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.970265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.970265 (E_RNA)
where:
Base-Base interactions energy: -96.881
where: short stacking energy: -49.638
Base-Backbone interact. energy: -0.173
local terms energy: -72.915743
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -188.998184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.998184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.998184 (E_RNA)
where:
Base-Base interactions energy: -119.821
where: short stacking energy: -52.250
Base-Backbone interact. energy: -0.336
local terms energy: -68.841299
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -117.195613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.195613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.195613 (E_RNA)
where:
Base-Base interactions energy: -64.592
where: short stacking energy: -35.943
Base-Backbone interact. energy: -0.344
local terms energy: -52.259716
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -108.162509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.162509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.162509 (E_RNA)
where:
Base-Base interactions energy: -55.203
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.126
local terms energy: -52.834096
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -87.370722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.370722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.370722 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.266
local terms energy: -47.407380
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -7.021
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -91.135971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.135971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.135971 (E_RNA)
where:
Base-Base interactions energy: -35.645
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.449
local terms energy: -55.041678
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -88.790762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.790762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.790762 (E_RNA)
where:
Base-Base interactions energy: -42.168
where: short stacking energy: -36.322
Base-Backbone interact. energy: -0.158
local terms energy: -46.464823
where:
bonds (distance) C4'-P energy: -7.442
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -8.649
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -9.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -215.899699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.899699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.899699 (E_RNA)
where:
Base-Base interactions energy: -135.224
where: short stacking energy: -74.262
Base-Backbone interact. energy: -0.591
local terms energy: -80.085040
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -208.914283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.914283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.914283 (E_RNA)
where:
Base-Base interactions energy: -143.315
where: short stacking energy: -56.702
Base-Backbone interact. energy: -0.346
local terms energy: -65.253515
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -169.862703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.862703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.862703 (E_RNA)
where:
Base-Base interactions energy: -104.517
where: short stacking energy: -52.848
Base-Backbone interact. energy: -0.018
local terms energy: -65.327432
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -180.201055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.201055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.201055 (E_RNA)
where:
Base-Base interactions energy: -110.716
where: short stacking energy: -57.339
Base-Backbone interact. energy: -0.071
local terms energy: -69.413490
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -192.948627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.948627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.948627 (E_RNA)
where:
Base-Base interactions energy: -131.254
where: short stacking energy: -55.233
Base-Backbone interact. energy: -0.261
local terms energy: -61.433735
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -8.177
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -105.637018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.637018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.637018 (E_RNA)
where:
Base-Base interactions energy: -52.803
where: short stacking energy: -33.545
Base-Backbone interact. energy: -0.103
local terms energy: -52.731398
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -91.152478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.152478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.152478 (E_RNA)
where:
Base-Base interactions energy: -39.253
where: short stacking energy: -39.253
Base-Backbone interact. energy: -0.008
local terms energy: -51.890794
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -93.009069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.009069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.009069 (E_RNA)
where:
Base-Base interactions energy: -36.665
where: short stacking energy: -29.707
Base-Backbone interact. energy: -1.416
local terms energy: -54.927944
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -11.022
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: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -88.801194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.801194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.801194 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -36.782
Base-Backbone interact. energy: -0.007
local terms energy: -52.011623
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -73.931258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.931258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.931258 (E_RNA)
where:
Base-Base interactions energy: -25.146
where: short stacking energy: -20.926
Base-Backbone interact. energy: -0.150
local terms energy: -48.636067
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -2.986
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: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -211.216417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.216417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.216417 (E_RNA)
where:
Base-Base interactions energy: -127.892
where: short stacking energy: -72.882
Base-Backbone interact. energy: -0.000
local terms energy: -83.324384
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -13.035
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: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -208.219659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.219659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.219659 (E_RNA)
where:
Base-Base interactions energy: -139.038
where: short stacking energy: -55.607
Base-Backbone interact. energy: -0.491
local terms energy: -68.690211
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -173.096336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.096336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.096336 (E_RNA)
where:
Base-Base interactions energy: -105.527
where: short stacking energy: -67.228
Base-Backbone interact. energy: -0.038
local terms energy: -67.531606
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -193.070793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.070793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.070793 (E_RNA)
where:
Base-Base interactions energy: -126.207
where: short stacking energy: -58.159
Base-Backbone interact. energy: -0.006
local terms energy: -66.858534
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -170.430017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.430017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.430017 (E_RNA)
where:
Base-Base interactions energy: -99.369
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.169
local terms energy: -70.892478
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -13.537
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: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -89.747574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.747574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.747574 (E_RNA)
where:
Base-Base interactions energy: -35.036
where: short stacking energy: -29.825
Base-Backbone interact. energy: 0.063
local terms energy: -54.773909
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -100.992605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.992605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.992605 (E_RNA)
where:
Base-Base interactions energy: -45.158
where: short stacking energy: -41.271
Base-Backbone interact. energy: -0.052
local terms energy: -55.783019
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -9.507
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: 369
Temperature: 1.250000
Total energy: -88.524232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.524232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.524232 (E_RNA)
where:
Base-Base interactions energy: -32.923
where: short stacking energy: -26.527
Base-Backbone interact. energy: -0.193
local terms energy: -55.408454
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -90.773180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.773180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.773180 (E_RNA)
where:
Base-Base interactions energy: -38.255
where: short stacking energy: -23.540
Base-Backbone interact. energy: -0.105
local terms energy: -52.413025
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -71.537905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.537905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.537905 (E_RNA)
where:
Base-Base interactions energy: -25.054
where: short stacking energy: -25.054
Base-Backbone interact. energy: -0.491
local terms energy: -45.993010
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -5.469
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -207.904010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.904010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.904010 (E_RNA)
where:
Base-Base interactions energy: -133.480
where: short stacking energy: -67.582
Base-Backbone interact. energy: -0.004
local terms energy: -74.420638
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -12.247
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: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -210.572320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.572320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.572320 (E_RNA)
where:
Base-Base interactions energy: -133.113
where: short stacking energy: -72.603
Base-Backbone interact. energy: -0.097
local terms energy: -77.362260
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -12.733
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: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -200.197011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.197011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.197011 (E_RNA)
where:
Base-Base interactions energy: -131.696
where: short stacking energy: -70.759
Base-Backbone interact. energy: 0.307
local terms energy: -68.808547
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -168.292370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.292370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.292370 (E_RNA)
where:
Base-Base interactions energy: -97.913
where: short stacking energy: -57.675
Base-Backbone interact. energy: -0.159
local terms energy: -70.220783
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -164.893761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.893761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.893761 (E_RNA)
where:
Base-Base interactions energy: -98.753
where: short stacking energy: -46.955
Base-Backbone interact. energy: -0.890
local terms energy: -65.250024
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -105.110343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.110343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.110343 (E_RNA)
where:
Base-Base interactions energy: -35.079
where: short stacking energy: -35.079
Base-Backbone interact. energy: -0.097
local terms energy: -69.934671
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -97.024294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.024294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.024294 (E_RNA)
where:
Base-Base interactions energy: -47.794
where: short stacking energy: -47.794
Base-Backbone interact. energy: -0.028
local terms energy: -49.202390
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -90.589536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.589536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.589536 (E_RNA)
where:
Base-Base interactions energy: -38.981
where: short stacking energy: -30.298
Base-Backbone interact. energy: -0.369
local terms energy: -51.239549
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -83.869408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.869408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.869408 (E_RNA)
where:
Base-Base interactions energy: -28.443
where: short stacking energy: -28.443
Base-Backbone interact. energy: 2.487
local terms energy: -57.913791
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -81.688287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.688287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.688287 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -24.492
Base-Backbone interact. energy: -0.428
local terms energy: -52.111323
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -213.936318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.936318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.936318 (E_RNA)
where:
Base-Base interactions energy: -133.585
where: short stacking energy: -71.341
Base-Backbone interact. energy: -0.011
local terms energy: -80.340117
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -210.321639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.321639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.321639 (E_RNA)
where:
Base-Base interactions energy: -128.288
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.001
local terms energy: -82.033037
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -204.429981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.429981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.429981 (E_RNA)
where:
Base-Base interactions energy: -126.131
where: short stacking energy: -69.806
Base-Backbone interact. energy: -0.102
local terms energy: -78.197028
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -10.272
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -175.316132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.316132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.316132 (E_RNA)
where:
Base-Base interactions energy: -107.765
where: short stacking energy: -57.334
Base-Backbone interact. energy: -0.759
local terms energy: -66.792326
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.295
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: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -166.059683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.059683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.059683 (E_RNA)
where:
Base-Base interactions energy: -111.603
where: short stacking energy: -51.643
Base-Backbone interact. energy: -0.122
local terms energy: -54.335380
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -1.962
tors. eta vs tors. theta energy: -11.986
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: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -89.955280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.955280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.955280 (E_RNA)
where:
Base-Base interactions energy: -30.222
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.162
local terms energy: -59.571086
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -98.051518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.051518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.051518 (E_RNA)
where:
Base-Base interactions energy: -45.307
where: short stacking energy: -35.125
Base-Backbone interact. energy: -0.104
local terms energy: -52.640537
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -98.441877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.441877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.441877 (E_RNA)
where:
Base-Base interactions energy: -42.040
where: short stacking energy: -30.404
Base-Backbone interact. energy: 0.198
local terms energy: -56.600278
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -87.514580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.514580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.514580 (E_RNA)
where:
Base-Base interactions energy: -36.190
where: short stacking energy: -36.190
Base-Backbone interact. energy: -0.214
local terms energy: -51.110731
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -82.062480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.062480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.062480 (E_RNA)
where:
Base-Base interactions energy: -38.237
where: short stacking energy: -29.658
Base-Backbone interact. energy: -0.004
local terms energy: -43.821509
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: -0.804
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: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -213.184428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.184428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.184428 (E_RNA)
where:
Base-Base interactions energy: -138.131
where: short stacking energy: -79.694
Base-Backbone interact. energy: -0.195
local terms energy: -74.858723
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -21.465
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: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -212.955345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.955345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.955345 (E_RNA)
where:
Base-Base interactions energy: -135.270
where: short stacking energy: -65.912
Base-Backbone interact. energy: -0.105
local terms energy: -77.579868
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -19.334
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: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -206.096447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.096447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.096447 (E_RNA)
where:
Base-Base interactions energy: -127.381
where: short stacking energy: -68.948
Base-Backbone interact. energy: 1.942
local terms energy: -80.657437
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -20.493
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: 372
Temperature: 1.050000
Total energy: -194.379239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.379239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.379239 (E_RNA)
where:
Base-Base interactions energy: -118.360
where: short stacking energy: -60.853
Base-Backbone interact. energy: -0.103
local terms energy: -75.916249
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -165.470807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.470807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.470807 (E_RNA)
where:
Base-Base interactions energy: -100.718
where: short stacking energy: -48.932
Base-Backbone interact. energy: -0.083
local terms energy: -64.669288
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -9.535
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: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -107.720258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.720258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.720258 (E_RNA)
where:
Base-Base interactions energy: -42.494
where: short stacking energy: -42.494
Base-Backbone interact. energy: -0.002
local terms energy: -65.223648
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -89.833409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.833409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.833409 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -33.472
Base-Backbone interact. energy: -0.027
local terms energy: -56.333770
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -10.298
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: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -84.253482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.253482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.253482 (E_RNA)
where:
Base-Base interactions energy: -34.931
where: short stacking energy: -32.919
Base-Backbone interact. energy: -0.297
local terms energy: -49.025490
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -85.199220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.199220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.199220 (E_RNA)
where:
Base-Base interactions energy: -37.829
where: short stacking energy: -21.596
Base-Backbone interact. energy: -0.477
local terms energy: -46.894050
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -82.623577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.623577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.623577 (E_RNA)
where:
Base-Base interactions energy: -43.065
where: short stacking energy: -33.184
Base-Backbone interact. energy: -0.403
local terms energy: -39.154910
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -208.528259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.528259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.528259 (E_RNA)
where:
Base-Base interactions energy: -131.480
where: short stacking energy: -62.687
Base-Backbone interact. energy: -0.003
local terms energy: -77.044741
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -201.885709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.885709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.885709 (E_RNA)
where:
Base-Base interactions energy: -132.326
where: short stacking energy: -67.694
Base-Backbone interact. energy: -0.011
local terms energy: -69.548716
where:
bonds (distance) C4'-P energy: -7.251
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -204.687554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.687554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.687554 (E_RNA)
where:
Base-Base interactions energy: -134.321
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.039
local terms energy: -70.327812
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -12.019
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: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -172.267894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.267894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.267894 (E_RNA)
where:
Base-Base interactions energy: -109.398
where: short stacking energy: -64.588
Base-Backbone interact. energy: -0.035
local terms energy: -62.834936
where:
bonds (distance) C4'-P energy: -7.564
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -176.908592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.908592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.908592 (E_RNA)
where:
Base-Base interactions energy: -113.438
where: short stacking energy: -61.358
Base-Backbone interact. energy: -0.063
local terms energy: -63.407812
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -10.086
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: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -99.734517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.734517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.734517 (E_RNA)
where:
Base-Base interactions energy: -48.462
where: short stacking energy: -48.462
Base-Backbone interact. energy: -0.079
local terms energy: -51.193514
where:
bonds (distance) C4'-P energy: -5.101
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -10.620
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: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -95.966087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.966087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.966087 (E_RNA)
where:
Base-Base interactions energy: -36.207
where: short stacking energy: -35.862
Base-Backbone interact. energy: -1.049
local terms energy: -58.709403
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -4.781
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: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -90.498976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.498976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.498976 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -29.855
Base-Backbone interact. energy: 0.052
local terms energy: -55.970332
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
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: -39.341
where: short stacking energy: -29.906
Base-Backbone interact. energy: -0.176
local terms energy: -44.963951
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -9.403
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -72.472496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.472496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.472496 (E_RNA)
where:
Base-Base interactions energy: -26.847
where: short stacking energy: -26.665
Base-Backbone interact. energy: -0.058
local terms energy: -45.567723
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: 1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -214.451852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.451852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.451852 (E_RNA)
where:
Base-Base interactions energy: -140.159
where: short stacking energy: -65.195
Base-Backbone interact. energy: -0.030
local terms energy: -74.262853
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -10.918
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: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -193.919390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.919390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.919390 (E_RNA)
where:
Base-Base interactions energy: -116.534
where: short stacking energy: -62.368
Base-Backbone interact. energy: -0.257
local terms energy: -77.128363
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -162.426375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.426375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.426375 (E_RNA)
where:
Base-Base interactions energy: -93.045
where: short stacking energy: -57.440
Base-Backbone interact. energy: 0.002
local terms energy: -69.382634
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -195.612643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.612643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.612643 (E_RNA)
where:
Base-Base interactions energy: -137.076
where: short stacking energy: -60.827
Base-Backbone interact. energy: -0.963
local terms energy: -57.573493
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -11.908
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: 374
Temperature: 1.100000
Total energy: -168.102841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.102841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.102841 (E_RNA)
where:
Base-Base interactions energy: -107.111
where: short stacking energy: -56.614
Base-Backbone interact. energy: 0.731
local terms energy: -61.723194
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -102.793509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.793509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.793509 (E_RNA)
where:
Base-Base interactions energy: -46.579
where: short stacking energy: -34.812
Base-Backbone interact. energy: -0.075
local terms energy: -56.139280
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -96.897137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.897137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.897137 (E_RNA)
where:
Base-Base interactions energy: -45.279
where: short stacking energy: -33.832
Base-Backbone interact. energy: -0.901
local terms energy: -50.717424
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -3.294
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: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -85.202709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.202709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.202709 (E_RNA)
where:
Base-Base interactions energy: -40.442
where: short stacking energy: -21.064
Base-Backbone interact. energy: -0.306
local terms energy: -44.454240
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -79.762009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.762009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.762009 (E_RNA)
where:
Base-Base interactions energy: -31.878
where: short stacking energy: -26.095
Base-Backbone interact. energy: -0.409
local terms energy: -47.475529
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -78.974736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.974736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.974736 (E_RNA)
where:
Base-Base interactions energy: -34.171
where: short stacking energy: -26.094
Base-Backbone interact. energy: -1.028
local terms energy: -43.776061
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -6.892
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -212.466704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.466704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.466704 (E_RNA)
where:
Base-Base interactions energy: -136.406
where: short stacking energy: -67.221
Base-Backbone interact. energy: -0.067
local terms energy: -75.993748
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -193.786605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.786605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.786605 (E_RNA)
where:
Base-Base interactions energy: -123.613
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.013
local terms energy: -70.161091
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -158.887415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.887415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.887415 (E_RNA)
where:
Base-Base interactions energy: -94.696
where: short stacking energy: -44.519
Base-Backbone interact. energy: -0.649
local terms energy: -63.542866
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -10.497
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: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -197.365054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.365054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.365054 (E_RNA)
where:
Base-Base interactions energy: -134.970
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.010
local terms energy: -62.384644
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -172.159828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.159828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.159828 (E_RNA)
where:
Base-Base interactions energy: -104.008
where: short stacking energy: -55.413
Base-Backbone interact. energy: -0.403
local terms energy: -67.747923
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -100.151224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.151224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.151224 (E_RNA)
where:
Base-Base interactions energy: -41.506
where: short stacking energy: -27.346
Base-Backbone interact. energy: -0.391
local terms energy: -58.253711
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -90.607874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.607874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.607874 (E_RNA)
where:
Base-Base interactions energy: -32.924
where: short stacking energy: -30.609
Base-Backbone interact. energy: -0.194
local terms energy: -57.489741
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -9.462
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: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -89.440937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.440937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.440937 (E_RNA)
where:
Base-Base interactions energy: -37.790
where: short stacking energy: -31.789
Base-Backbone interact. energy: 2.493
local terms energy: -54.144414
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -86.746905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.746905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746905 (E_RNA)
where:
Base-Base interactions energy: -39.965
where: short stacking energy: -39.156
Base-Backbone interact. energy: -0.157
local terms energy: -46.624800
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -7.840
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -83.628903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.628903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.628903 (E_RNA)
where:
Base-Base interactions energy: -32.437
where: short stacking energy: -32.437
Base-Backbone interact. energy: -0.100
local terms energy: -51.091587
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -5.022
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: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -210.598380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.598380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.598380 (E_RNA)
where:
Base-Base interactions energy: -136.080
where: short stacking energy: -64.557
Base-Backbone interact. energy: 0.621
local terms energy: -75.139060
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -8.830
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: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -201.737303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.737303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.737303 (E_RNA)
where:
Base-Base interactions energy: -128.743
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.213
local terms energy: -72.780647
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -206.096772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.096772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.096772 (E_RNA)
where:
Base-Base interactions energy: -134.896
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.130
local terms energy: -71.070478
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -154.383277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.383277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.383277 (E_RNA)
where:
Base-Base interactions energy: -93.156
where: short stacking energy: -46.699
Base-Backbone interact. energy: -0.121
local terms energy: -61.106593
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -11.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -155.273030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.273030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.273030 (E_RNA)
where:
Base-Base interactions energy: -90.992
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.019
local terms energy: -64.262075
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -10.740
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: 6, replica: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -91.907117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.907117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.907117 (E_RNA)
where:
Base-Base interactions energy: -38.483
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.090
local terms energy: -53.334588
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -8.440
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -97.760977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.760977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.760977 (E_RNA)
where:
Base-Base interactions energy: -38.847
where: short stacking energy: -27.235
Base-Backbone interact. energy: -0.202
local terms energy: -58.711667
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -88.204345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.204345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.204345 (E_RNA)
where:
Base-Base interactions energy: -37.084
where: short stacking energy: -36.402
Base-Backbone interact. energy: -0.464
local terms energy: -50.656834
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -7.108
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: 376
Temperature: 1.300000
Total energy: -87.998423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.998423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.998423 (E_RNA)
where:
Base-Base interactions energy: -31.715
where: short stacking energy: -31.517
Base-Backbone interact. energy: 0.770
local terms energy: -57.052918
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -74.555343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.555343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.555343 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -29.434
Base-Backbone interact. energy: 1.313
local terms energy: -46.347055
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.067
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: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -217.441759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.441759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.441759 (E_RNA)
where:
Base-Base interactions energy: -145.670
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.486
local terms energy: -71.285594
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -10.400
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: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -200.313617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.313617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.313617 (E_RNA)
where:
Base-Base interactions energy: -129.295
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.145
local terms energy: -70.873456
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -200.192495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.192495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.192495 (E_RNA)
where:
Base-Base interactions energy: -122.833
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.070
local terms energy: -77.288803
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -19.597
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: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -165.943418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.943418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.943418 (E_RNA)
where:
Base-Base interactions energy: -93.226
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.790
local terms energy: -71.926960
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -169.213180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.213180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.213180 (E_RNA)
where:
Base-Base interactions energy: -95.186
where: short stacking energy: -54.455
Base-Backbone interact. energy: -0.070
local terms energy: -73.956450
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -112.884219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.884219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.884219 (E_RNA)
where:
Base-Base interactions energy: -51.486
where: short stacking energy: -32.367
Base-Backbone interact. energy: -0.067
local terms energy: -61.331315
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -96.491739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.491739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.491739 (E_RNA)
where:
Base-Base interactions energy: -43.133
where: short stacking energy: -41.770
Base-Backbone interact. energy: -0.204
local terms energy: -53.154456
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -7.297
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -8.710
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: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -89.512638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.512638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.512638 (E_RNA)
where:
Base-Base interactions energy: -38.446
where: short stacking energy: -24.032
Base-Backbone interact. energy: -0.064
local terms energy: -51.002904
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -83.677240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.677240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.677240 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -29.574
Base-Backbone interact. energy: -0.126
local terms energy: -47.603958
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -77.758896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.758896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.758896 (E_RNA)
where:
Base-Base interactions energy: -22.370
where: short stacking energy: -20.345
Base-Backbone interact. energy: -1.247
local terms energy: -54.141347
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -215.886310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.886310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.886310 (E_RNA)
where:
Base-Base interactions energy: -141.466
where: short stacking energy: -66.770
Base-Backbone interact. energy: -0.643
local terms energy: -73.777756
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -209.294885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.294885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.294885 (E_RNA)
where:
Base-Base interactions energy: -138.325
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.201
local terms energy: -70.768434
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -15.081
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: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -204.151555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.151555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.151555 (E_RNA)
where:
Base-Base interactions energy: -129.032
where: short stacking energy: -67.059
Base-Backbone interact. energy: -0.010
local terms energy: -75.109606
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -11.267
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: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -171.373477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.373477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.373477 (E_RNA)
where:
Base-Base interactions energy: -107.956
where: short stacking energy: -52.771
Base-Backbone interact. energy: -0.078
local terms energy: -63.339267
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -11.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -154.431981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.431981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.431981 (E_RNA)
where:
Base-Base interactions energy: -83.643
where: short stacking energy: -41.878
Base-Backbone interact. energy: -0.621
local terms energy: -70.168275
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -11.562
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: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -97.222405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.222405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.222405 (E_RNA)
where:
Base-Base interactions energy: -40.575
where: short stacking energy: -33.760
Base-Backbone interact. energy: -0.098
local terms energy: -56.549930
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -8.870
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: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -90.242278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.242278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.242278 (E_RNA)
where:
Base-Base interactions energy: -35.437
where: short stacking energy: -35.437
Base-Backbone interact. energy: 0.165
local terms energy: -54.970130
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -5.686
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: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -92.435954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.435954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.435954 (E_RNA)
where:
Base-Base interactions energy: -47.403
where: short stacking energy: -32.881
Base-Backbone interact. energy: -0.413
local terms energy: -44.619836
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -1.467
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: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -97.377980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.377980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.377980 (E_RNA)
where:
Base-Base interactions energy: -42.738
where: short stacking energy: -42.738
Base-Backbone interact. energy: -0.144
local terms energy: -54.495764
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -70.345784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.345784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.345784 (E_RNA)
where:
Base-Base interactions energy: -24.045
where: short stacking energy: -21.114
Base-Backbone interact. energy: -2.331
local terms energy: -43.969988
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -211.580738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.580738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.580738 (E_RNA)
where:
Base-Base interactions energy: -137.020
where: short stacking energy: -66.461
Base-Backbone interact. energy: -0.167
local terms energy: -74.394017
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -18.126
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: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -217.475784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.475784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.475784 (E_RNA)
where:
Base-Base interactions energy: -140.244
where: short stacking energy: -70.917
Base-Backbone interact. energy: -0.004
local terms energy: -77.227387
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -11.890
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: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -211.701804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.701804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.701804 (E_RNA)
where:
Base-Base interactions energy: -133.672
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.030
local terms energy: -77.999785
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -174.548923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.548923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.548923 (E_RNA)
where:
Base-Base interactions energy: -108.032
where: short stacking energy: -60.885
Base-Backbone interact. energy: -0.291
local terms energy: -66.226057
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -160.519320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.519320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.519320 (E_RNA)
where:
Base-Base interactions energy: -95.768
where: short stacking energy: -38.511
Base-Backbone interact. energy: -0.171
local terms energy: -64.581232
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -12.482
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: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -84.345057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.345057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.345057 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -24.452
Base-Backbone interact. energy: -0.107
local terms energy: -52.334382
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -112.893492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.893492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.893492 (E_RNA)
where:
Base-Base interactions energy: -56.635
where: short stacking energy: -40.508
Base-Backbone interact. energy: 1.578
local terms energy: -57.836812
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -81.417971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417971 (E_RNA)
where:
Base-Base interactions energy: -40.407
where: short stacking energy: -28.805
Base-Backbone interact. energy: -0.058
local terms energy: -40.953505
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -8.097
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: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -87.676659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.676659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.676659 (E_RNA)
where:
Base-Base interactions energy: -33.003
where: short stacking energy: -33.003
Base-Backbone interact. energy: -0.208
local terms energy: -54.465911
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -10.376
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: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -75.636815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.636815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.636815 (E_RNA)
where:
Base-Base interactions energy: -26.141
where: short stacking energy: -20.632
Base-Backbone interact. energy: -0.425
local terms energy: -49.070580
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -207.167649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.167649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.167649 (E_RNA)
where:
Base-Base interactions energy: -135.328
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.344
local terms energy: -71.495519
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -213.194955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.194955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.194955 (E_RNA)
where:
Base-Base interactions energy: -139.504
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.350
local terms energy: -73.340749
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -195.134432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.134432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.134432 (E_RNA)
where:
Base-Base interactions energy: -126.333
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.068
local terms energy: -68.733058
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -9.937
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: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -161.422385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.422385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.422385 (E_RNA)
where:
Base-Base interactions energy: -96.777
where: short stacking energy: -51.193
Base-Backbone interact. energy: -0.005
local terms energy: -64.640306
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -6.713
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: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -162.332245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.332245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.332245 (E_RNA)
where:
Base-Base interactions energy: -96.155
where: short stacking energy: -48.483
Base-Backbone interact. energy: -0.819
local terms energy: -65.358228
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -102.552274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.552274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.552274 (E_RNA)
where:
Base-Base interactions energy: -42.852
where: short stacking energy: -42.852
Base-Backbone interact. energy: -0.726
local terms energy: -58.974064
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -88.011689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.011689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.011689 (E_RNA)
where:
Base-Base interactions energy: -33.053
where: short stacking energy: -33.039
Base-Backbone interact. energy: -0.133
local terms energy: -54.825825
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -7.404
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -10.471
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: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -101.862804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.862804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.862804 (E_RNA)
where:
Base-Base interactions energy: -55.899
where: short stacking energy: -32.580
Base-Backbone interact. energy: -0.459
local terms energy: -45.505206
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: 2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -81.093478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.093478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.093478 (E_RNA)
where:
Base-Base interactions energy: -33.607
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.220
local terms energy: -47.266556
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -75.586361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.586361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.586361 (E_RNA)
where:
Base-Base interactions energy: -25.575
where: short stacking energy: -25.575
Base-Backbone interact. energy: -0.978
local terms energy: -49.032684
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -8.720
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: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -220.830292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.830292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.830292 (E_RNA)
where:
Base-Base interactions energy: -138.460
where: short stacking energy: -73.328
Base-Backbone interact. energy: -1.203
local terms energy: -81.167400
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -21.553
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: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -202.520923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.520923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.520923 (E_RNA)
where:
Base-Base interactions energy: -135.243
where: short stacking energy: -54.394
Base-Backbone interact. energy: -0.012
local terms energy: -67.266077
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -189.126580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.126580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.126580 (E_RNA)
where:
Base-Base interactions energy: -126.116
where: short stacking energy: -49.975
Base-Backbone interact. energy: 0.971
local terms energy: -63.982516
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -170.129148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.129148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.129148 (E_RNA)
where:
Base-Base interactions energy: -106.642
where: short stacking energy: -47.109
Base-Backbone interact. energy: -0.226
local terms energy: -63.260872
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -146.836801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.836801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.836801 (E_RNA)
where:
Base-Base interactions energy: -83.004
where: short stacking energy: -47.446
Base-Backbone interact. energy: -0.181
local terms energy: -63.651656
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -7.111
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: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -93.473189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.473189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.473189 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.209
local terms energy: -56.645211
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -88.619359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.619359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.619359 (E_RNA)
where:
Base-Base interactions energy: -41.800
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.343
local terms energy: -46.476521
where:
bonds (distance) C4'-P energy: -6.613
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -5.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -81.063754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.063754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.063754 (E_RNA)
where:
Base-Base interactions energy: -37.054
where: short stacking energy: -22.754
Base-Backbone interact. energy: -0.179
local terms energy: -43.831238
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -75.177315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.177315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.177315 (E_RNA)
where:
Base-Base interactions energy: -23.390
where: short stacking energy: -20.005
Base-Backbone interact. energy: -0.020
local terms energy: -51.766905
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -86.218834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.218834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.218834 (E_RNA)
where:
Base-Base interactions energy: -40.576
where: short stacking energy: -32.378
Base-Backbone interact. energy: 0.722
local terms energy: -46.364882
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -6.758
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: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -213.162344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.162344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.162344 (E_RNA)
where:
Base-Base interactions energy: -135.655
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.020
local terms energy: -77.487415
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -21.482
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: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -203.789205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.789205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.789205 (E_RNA)
where:
Base-Base interactions energy: -130.594
where: short stacking energy: -64.017
Base-Backbone interact. energy: -0.065
local terms energy: -73.130400
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -16.676
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: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -195.534062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.534062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.534062 (E_RNA)
where:
Base-Base interactions energy: -116.670
where: short stacking energy: -60.276
Base-Backbone interact. energy: -0.001
local terms energy: -78.863446
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -167.887082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.887082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.887082 (E_RNA)
where:
Base-Base interactions energy: -102.508
where: short stacking energy: -60.992
Base-Backbone interact. energy: 0.618
local terms energy: -65.997106
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -8.705
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: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -159.912574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.912574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.912574 (E_RNA)
where:
Base-Base interactions energy: -92.726
where: short stacking energy: -55.357
Base-Backbone interact. energy: -0.146
local terms energy: -67.040772
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -97.523306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.523306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.523306 (E_RNA)
where:
Base-Base interactions energy: -37.117
where: short stacking energy: -37.117
Base-Backbone interact. energy: 0.270
local terms energy: -60.676119
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -92.448085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.448085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.448085 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -33.920
Base-Backbone interact. energy: 0.147
local terms energy: -58.674510
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -88.508986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.508986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.508986 (E_RNA)
where:
Base-Base interactions energy: -39.354
where: short stacking energy: -32.181
Base-Backbone interact. energy: -0.048
local terms energy: -49.107340
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -3.754
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: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -78.512617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.512617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.512617 (E_RNA)
where:
Base-Base interactions energy: -32.473
where: short stacking energy: -32.473
Base-Backbone interact. energy: 0.210
local terms energy: -46.249590
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -7.250
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -74.028805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.028805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.028805 (E_RNA)
where:
Base-Base interactions energy: -24.996
where: short stacking energy: -24.542
Base-Backbone interact. energy: -0.585
local terms energy: -48.447815
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: 0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -211.884666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.884666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.884666 (E_RNA)
where:
Base-Base interactions energy: -126.462
where: short stacking energy: -75.290
Base-Backbone interact. energy: -0.005
local terms energy: -85.417660
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -19.414
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: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -203.914325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.914325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.914325 (E_RNA)
where:
Base-Base interactions energy: -133.188
where: short stacking energy: -58.470
Base-Backbone interact. energy: -0.087
local terms energy: -70.639892
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -202.270975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.270975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.270975 (E_RNA)
where:
Base-Base interactions energy: -133.758
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.136
local terms energy: -68.376445
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -160.693719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.693719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.693719 (E_RNA)
where:
Base-Base interactions energy: -90.827
where: short stacking energy: -50.373
Base-Backbone interact. energy: -0.200
local terms energy: -69.666780
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -152.429552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.429552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.429552 (E_RNA)
where:
Base-Base interactions energy: -87.990
where: short stacking energy: -50.489
Base-Backbone interact. energy: 1.124
local terms energy: -65.563111
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -105.215271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.215271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.215271 (E_RNA)
where:
Base-Base interactions energy: -45.466
where: short stacking energy: -38.315
Base-Backbone interact. energy: -0.003
local terms energy: -59.746067
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -10.239
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: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -99.521984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.521984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.521984 (E_RNA)
where:
Base-Base interactions energy: -35.466
where: short stacking energy: -35.466
Base-Backbone interact. energy: -0.089
local terms energy: -63.967498
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -93.345237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.345237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.345237 (E_RNA)
where:
Base-Base interactions energy: -43.608
where: short stacking energy: -20.537
Base-Backbone interact. energy: -0.104
local terms energy: -49.632713
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: 1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -84.635520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.635520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.635520 (E_RNA)
where:
Base-Base interactions energy: -40.008
where: short stacking energy: -30.215
Base-Backbone interact. energy: -0.305
local terms energy: -44.321814
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -6.814
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: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -79.046414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.046414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.046414 (E_RNA)
where:
Base-Base interactions energy: -31.162
where: short stacking energy: -20.116
Base-Backbone interact. energy: -1.271
local terms energy: -46.613389
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -7.280
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -3.791
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: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -200.442901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.442901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.442901 (E_RNA)
where:
Base-Base interactions energy: -129.608
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.149
local terms energy: -70.686008
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -14.214
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: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -205.817269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.817269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.817269 (E_RNA)
where:
Base-Base interactions energy: -128.586
where: short stacking energy: -67.811
Base-Backbone interact. energy: -0.000
local terms energy: -77.231174
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -10.758
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: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -198.068490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.068490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.068490 (E_RNA)
where:
Base-Base interactions energy: -125.003
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.765
local terms energy: -72.301278
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -179.518796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.518796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.518796 (E_RNA)
where:
Base-Base interactions energy: -108.644
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.012
local terms energy: -70.863185
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -17.012
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: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -158.729486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.729486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.729486 (E_RNA)
where:
Base-Base interactions energy: -90.820
where: short stacking energy: -53.786
Base-Backbone interact. energy: -0.406
local terms energy: -67.502885
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -96.663793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.663793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.663793 (E_RNA)
where:
Base-Base interactions energy: -41.235
where: short stacking energy: -38.694
Base-Backbone interact. energy: -0.229
local terms energy: -55.200212
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -128.146512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.146512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.146512 (E_RNA)
where:
Base-Base interactions energy: -76.808
where: short stacking energy: -39.702
Base-Backbone interact. energy: -0.316
local terms energy: -51.022504
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -122.489069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.489069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.489069 (E_RNA)
where:
Base-Base interactions energy: -66.952
where: short stacking energy: -35.013
Base-Backbone interact. energy: -0.102
local terms energy: -55.435591
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -76.233964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.233964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.233964 (E_RNA)
where:
Base-Base interactions energy: -37.745
where: short stacking energy: -13.990
Base-Backbone interact. energy: -0.470
local terms energy: -38.019094
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: 6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -84.835293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.835293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.835293 (E_RNA)
where:
Base-Base interactions energy: -37.834
where: short stacking energy: -22.165
Base-Backbone interact. energy: 0.462
local terms energy: -47.463391
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -8.196
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: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -203.839893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.839893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.839893 (E_RNA)
where:
Base-Base interactions energy: -137.895
where: short stacking energy: -56.734
Base-Backbone interact. energy: -0.144
local terms energy: -65.801345
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -209.745237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.745237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.745237 (E_RNA)
where:
Base-Base interactions energy: -131.418
where: short stacking energy: -66.346
Base-Backbone interact. energy: -0.014
local terms energy: -78.313226
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -205.860778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.860778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.860778 (E_RNA)
where:
Base-Base interactions energy: -131.161
where: short stacking energy: -59.818
Base-Backbone interact. energy: -0.003
local terms energy: -74.697254
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -168.566337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.566337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.566337 (E_RNA)
where:
Base-Base interactions energy: -105.846
where: short stacking energy: -61.406
Base-Backbone interact. energy: -0.107
local terms energy: -62.613127
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -162.120790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.120790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.120790 (E_RNA)
where:
Base-Base interactions energy: -95.723
where: short stacking energy: -48.029
Base-Backbone interact. energy: -0.203
local terms energy: -66.195405
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -86.138047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.138047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.138047 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -35.457
Base-Backbone interact. energy: -0.236
local terms energy: -50.107270
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -89.203020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.203020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.203020 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -30.102
Base-Backbone interact. energy: -0.171
local terms energy: -55.608414
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -114.840503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.840503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.840503 (E_RNA)
where:
Base-Base interactions energy: -67.071
where: short stacking energy: -36.795
Base-Backbone interact. energy: -0.062
local terms energy: -47.707764
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -8.973
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: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -82.329830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.329830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.329830 (E_RNA)
where:
Base-Base interactions energy: -30.960
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.174
local terms energy: -51.196178
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: 1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -87.094015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094015 (E_RNA)
where:
Base-Base interactions energy: -32.844
where: short stacking energy: -31.587
Base-Backbone interact. energy: 0.329
local terms energy: -54.578282
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -2.486
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: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -214.570947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.570947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.570947 (E_RNA)
where:
Base-Base interactions energy: -133.734
where: short stacking energy: -74.224
Base-Backbone interact. energy: -0.339
local terms energy: -80.498121
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -22.032
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: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -191.197665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.197665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.197665 (E_RNA)
where:
Base-Base interactions energy: -122.890
where: short stacking energy: -67.082
Base-Backbone interact. energy: -0.100
local terms energy: -68.208120
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -205.297393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.297393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.297393 (E_RNA)
where:
Base-Base interactions energy: -128.313
where: short stacking energy: -61.879
Base-Backbone interact. energy: -0.242
local terms energy: -76.741720
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -10.544
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: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -169.781015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.781015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.781015 (E_RNA)
where:
Base-Base interactions energy: -110.990
where: short stacking energy: -63.046
Base-Backbone interact. energy: 0.668
local terms energy: -59.459284
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -12.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -158.323143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.323143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.323143 (E_RNA)
where:
Base-Base interactions energy: -101.352
where: short stacking energy: -51.216
Base-Backbone interact. energy: -0.033
local terms energy: -56.938405
where:
bonds (distance) C4'-P energy: -7.443
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -96.673324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.673324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.673324 (E_RNA)
where:
Base-Base interactions energy: -34.791
where: short stacking energy: -34.364
Base-Backbone interact. energy: -0.082
local terms energy: -61.800518
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -106.417946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.417946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.417946 (E_RNA)
where:
Base-Base interactions energy: -54.013
where: short stacking energy: -41.642
Base-Backbone interact. energy: -0.259
local terms energy: -52.145272
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -85.219027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.219027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.219027 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -23.033
Base-Backbone interact. energy: -0.083
local terms energy: -48.485534
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: 1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -83.352452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.352452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.352452 (E_RNA)
where:
Base-Base interactions energy: -34.104
where: short stacking energy: -24.654
Base-Backbone interact. energy: -0.379
local terms energy: -48.869064
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: 0.912
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: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -89.582031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.582031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.582031 (E_RNA)
where:
Base-Base interactions energy: -39.628
where: short stacking energy: -24.100
Base-Backbone interact. energy: -0.231
local terms energy: -49.722466
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -2.885
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: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -219.140058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.140058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.140058 (E_RNA)
where:
Base-Base interactions energy: -145.896
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.035
local terms energy: -73.208957
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -217.064459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.064459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.064459 (E_RNA)
where:
Base-Base interactions energy: -136.396
where: short stacking energy: -75.567
Base-Backbone interact. energy: -0.062
local terms energy: -80.606762
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -203.559486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.559486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.559486 (E_RNA)
where:
Base-Base interactions energy: -130.830
where: short stacking energy: -74.280
Base-Backbone interact. energy: -0.015
local terms energy: -72.714683
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -170.015429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.015429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.015429 (E_RNA)
where:
Base-Base interactions energy: -101.908
where: short stacking energy: -60.977
Base-Backbone interact. energy: -0.076
local terms energy: -68.031009
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -159.219371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.219371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.219371 (E_RNA)
where:
Base-Base interactions energy: -102.536
where: short stacking energy: -52.778
Base-Backbone interact. energy: -0.761
local terms energy: -55.922726
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -110.172352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.172352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.172352 (E_RNA)
where:
Base-Base interactions energy: -56.921
where: short stacking energy: -50.596
Base-Backbone interact. energy: -0.199
local terms energy: -53.051657
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -3.918
tors. eta vs tors. theta energy: -10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -94.878639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.878639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.878639 (E_RNA)
where:
Base-Base interactions energy: -44.989
where: short stacking energy: -44.989
Base-Backbone interact. energy: -0.003
local terms energy: -49.886627
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -1.556
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -118.952732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.952732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.952732 (E_RNA)
where:
Base-Base interactions energy: -62.889
where: short stacking energy: -36.671
Base-Backbone interact. energy: -0.111
local terms energy: -55.952721
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -82.844318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.844318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.844318 (E_RNA)
where:
Base-Base interactions energy: -30.245
where: short stacking energy: -27.806
Base-Backbone interact. energy: -0.232
local terms energy: -52.367945
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -82.242262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.242262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.242262 (E_RNA)
where:
Base-Base interactions energy: -24.802
where: short stacking energy: -25.024
Base-Backbone interact. energy: -0.825
local terms energy: -56.614887
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.138
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: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -208.525573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.525573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.525573 (E_RNA)
where:
Base-Base interactions energy: -131.945
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.110
local terms energy: -76.470767
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -209.430593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.430593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.430593 (E_RNA)
where:
Base-Base interactions energy: -133.232
where: short stacking energy: -60.732
Base-Backbone interact. energy: -0.036
local terms energy: -76.162610
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -206.746110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.746110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.746110 (E_RNA)
where:
Base-Base interactions energy: -135.844
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.002
local terms energy: -70.900100
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -9.195
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: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -164.915450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.915450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.915450 (E_RNA)
where:
Base-Base interactions energy: -97.848
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.044
local terms energy: -67.023715
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -174.851107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.851107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.851107 (E_RNA)
where:
Base-Base interactions energy: -104.123
where: short stacking energy: -55.941
Base-Backbone interact. energy: -0.069
local terms energy: -70.659578
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -5.469
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: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -99.694605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.694605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.694605 (E_RNA)
where:
Base-Base interactions energy: -47.453
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.012
local terms energy: -52.229575
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -6.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -113.537329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.537329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.537329 (E_RNA)
where:
Base-Base interactions energy: -58.773
where: short stacking energy: -28.674
Base-Backbone interact. energy: -0.212
local terms energy: -54.552079
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -83.017276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.017276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.017276 (E_RNA)
where:
Base-Base interactions energy: -32.446
where: short stacking energy: -29.760
Base-Backbone interact. energy: -0.108
local terms energy: -50.463929
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -85.198712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.198712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.198712 (E_RNA)
where:
Base-Base interactions energy: -29.659
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.054
local terms energy: -55.486317
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -5.178
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: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -77.836281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.836281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.836281 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -20.379
Base-Backbone interact. energy: -0.188
local terms energy: -40.632964
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -7.914
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: 3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -206.829705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.829705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.829705 (E_RNA)
where:
Base-Base interactions energy: -136.047
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.075
local terms energy: -70.706979
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -210.482653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.482653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.482653 (E_RNA)
where:
Base-Base interactions energy: -137.978
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.217
local terms energy: -72.287991
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -204.632367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.632367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.632367 (E_RNA)
where:
Base-Base interactions energy: -136.743
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.063
local terms energy: -67.826015
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -174.490646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.490646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.490646 (E_RNA)
where:
Base-Base interactions energy: -109.296
where: short stacking energy: -59.681
Base-Backbone interact. energy: -0.096
local terms energy: -65.098587
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -12.784
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: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -150.934849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.934849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.934849 (E_RNA)
where:
Base-Base interactions energy: -91.771
where: short stacking energy: -47.910
Base-Backbone interact. energy: -0.031
local terms energy: -59.133548
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -102.960542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.960542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.960542 (E_RNA)
where:
Base-Base interactions energy: -55.724
where: short stacking energy: -34.406
Base-Backbone interact. energy: -0.650
local terms energy: -46.586007
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -89.059273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.059273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.059273 (E_RNA)
where:
Base-Base interactions energy: -35.703
where: short stacking energy: -34.800
Base-Backbone interact. energy: 0.485
local terms energy: -53.841845
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -81.205873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.205873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.205873 (E_RNA)
where:
Base-Base interactions energy: -33.093
where: short stacking energy: -27.188
Base-Backbone interact. energy: -0.117
local terms energy: -47.995582
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -88.716873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.716873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.716873 (E_RNA)
where:
Base-Base interactions energy: -42.275
where: short stacking energy: -39.613
Base-Backbone interact. energy: -0.280
local terms energy: -46.162544
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -83.979666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.979666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.979666 (E_RNA)
where:
Base-Base interactions energy: -33.004
where: short stacking energy: -22.591
Base-Backbone interact. energy: 0.060
local terms energy: -51.035307
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -11.481
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: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -212.476683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.476683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.476683 (E_RNA)
where:
Base-Base interactions energy: -138.008
where: short stacking energy: -69.497
Base-Backbone interact. energy: -0.096
local terms energy: -74.372708
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -213.341980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.341980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.341980 (E_RNA)
where:
Base-Base interactions energy: -138.457
where: short stacking energy: -70.585
Base-Backbone interact. energy: -0.014
local terms energy: -74.871188
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -20.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -200.307442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.307442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.307442 (E_RNA)
where:
Base-Base interactions energy: -126.898
where: short stacking energy: -52.374
Base-Backbone interact. energy: -0.082
local terms energy: -73.326950
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -14.770
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: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -167.842019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.842019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.842019 (E_RNA)
where:
Base-Base interactions energy: -96.621
where: short stacking energy: -61.449
Base-Backbone interact. energy: -0.004
local terms energy: -71.216734
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -151.848102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.848102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.848102 (E_RNA)
where:
Base-Base interactions energy: -91.509
where: short stacking energy: -40.991
Base-Backbone interact. energy: -2.286
local terms energy: -58.053001
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -10.693
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: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -108.630623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.630623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.630623 (E_RNA)
where:
Base-Base interactions energy: -50.233
where: short stacking energy: -36.674
Base-Backbone interact. energy: -0.063
local terms energy: -58.333809
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -93.035217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.035217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.035217 (E_RNA)
where:
Base-Base interactions energy: -31.775
where: short stacking energy: -30.141
Base-Backbone interact. energy: 0.037
local terms energy: -61.297306
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -88.941726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.941726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.941726 (E_RNA)
where:
Base-Base interactions energy: -36.858
where: short stacking energy: -37.817
Base-Backbone interact. energy: -0.129
local terms energy: -51.954584
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -1.053
tors. eta vs tors. theta energy: -6.128
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: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -83.306628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.306628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.306628 (E_RNA)
where:
Base-Base interactions energy: -43.945
where: short stacking energy: -32.072
Base-Backbone interact. energy: -1.111
local terms energy: -38.250815
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: 1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -93.321393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.321393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.321393 (E_RNA)
where:
Base-Base interactions energy: -50.848
where: short stacking energy: -24.619
Base-Backbone interact. energy: -0.218
local terms energy: -42.255176
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: 0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -216.648684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.648684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.648684 (E_RNA)
where:
Base-Base interactions energy: -140.010
where: short stacking energy: -64.281
Base-Backbone interact. energy: -0.384
local terms energy: -76.254812
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -204.769116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.769116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.769116 (E_RNA)
where:
Base-Base interactions energy: -129.103
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.077
local terms energy: -75.589353
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -199.116665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.116665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.116665 (E_RNA)
where:
Base-Base interactions energy: -130.403
where: short stacking energy: -56.290
Base-Backbone interact. energy: -0.038
local terms energy: -68.675994
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -11.815
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: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -172.267802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.267802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.267802 (E_RNA)
where:
Base-Base interactions energy: -103.781
where: short stacking energy: -54.158
Base-Backbone interact. energy: -0.031
local terms energy: -68.456245
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -168.864150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.864150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.864150 (E_RNA)
where:
Base-Base interactions energy: -102.232
where: short stacking energy: -55.876
Base-Backbone interact. energy: 1.421
local terms energy: -68.053273
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -8.145
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: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -107.755896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.755896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.755896 (E_RNA)
where:
Base-Base interactions energy: -41.790
where: short stacking energy: -41.656
Base-Backbone interact. energy: -0.051
local terms energy: -65.914806
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -10.520
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: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -106.145829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.145829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.145829 (E_RNA)
where:
Base-Base interactions energy: -52.050
where: short stacking energy: -47.425
Base-Backbone interact. energy: -0.088
local terms energy: -54.007366
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -8.059
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -89.900308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.900308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.900308 (E_RNA)
where:
Base-Base interactions energy: -51.230
where: short stacking energy: -30.870
Base-Backbone interact. energy: 1.033
local terms energy: -39.703151
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -1.032
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: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -105.014773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.014773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.014773 (E_RNA)
where:
Base-Base interactions energy: -52.041
where: short stacking energy: -26.396
Base-Backbone interact. energy: -0.516
local terms energy: -52.457494
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -79.996321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.996321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.996321 (E_RNA)
where:
Base-Base interactions energy: -29.455
where: short stacking energy: -29.455
Base-Backbone interact. energy: -0.792
local terms energy: -49.749434
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -210.230961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.230961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.230961 (E_RNA)
where:
Base-Base interactions energy: -148.467
where: short stacking energy: -59.161
Base-Backbone interact. energy: -1.548
local terms energy: -60.215830
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -197.909315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.909315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.909315 (E_RNA)
where:
Base-Base interactions energy: -127.691
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.008
local terms energy: -70.210854
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -210.929837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.929837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.929837 (E_RNA)
where:
Base-Base interactions energy: -142.081
where: short stacking energy: -69.094
Base-Backbone interact. energy: -0.041
local terms energy: -68.807846
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -18.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -158.868130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.868130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.868130 (E_RNA)
where:
Base-Base interactions energy: -98.022
where: short stacking energy: -39.331
Base-Backbone interact. energy: 0.494
local terms energy: -61.340234
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -11.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -158.847901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.847901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.847901 (E_RNA)
where:
Base-Base interactions energy: -94.786
where: short stacking energy: -56.923
Base-Backbone interact. energy: -0.787
local terms energy: -63.274952
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -10.837
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -102.388472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.388472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.388472 (E_RNA)
where:
Base-Base interactions energy: -43.217
where: short stacking energy: -43.217
Base-Backbone interact. energy: -0.023
local terms energy: -59.147902
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -101.909531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.909531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.909531 (E_RNA)
where:
Base-Base interactions energy: -41.115
where: short stacking energy: -31.554
Base-Backbone interact. energy: -0.040
local terms energy: -60.754161
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -10.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -92.102686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.102686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.102686 (E_RNA)
where:
Base-Base interactions energy: -39.075
where: short stacking energy: -34.912
Base-Backbone interact. energy: -0.721
local terms energy: -52.306138
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -95.823305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.823305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.823305 (E_RNA)
where:
Base-Base interactions energy: -37.720
where: short stacking energy: -37.720
Base-Backbone interact. energy: -0.189
local terms energy: -57.914327
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -80.003587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.003587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.003587 (E_RNA)
where:
Base-Base interactions energy: -30.810
where: short stacking energy: -27.918
Base-Backbone interact. energy: -0.089
local terms energy: -49.104416
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -10.714
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: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -214.233587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.233587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.233587 (E_RNA)
where:
Base-Base interactions energy: -138.662
where: short stacking energy: -61.362
Base-Backbone interact. energy: -0.021
local terms energy: -75.550553
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -202.064224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.064224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.064224 (E_RNA)
where:
Base-Base interactions energy: -129.410
where: short stacking energy: -63.561
Base-Backbone interact. energy: -0.505
local terms energy: -72.149404
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -200.116545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.116545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.116545 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.108
local terms energy: -65.108489
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -155.569647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.569647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.569647 (E_RNA)
where:
Base-Base interactions energy: -100.082
where: short stacking energy: -50.896
Base-Backbone interact. energy: -0.061
local terms energy: -55.426398
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -138.678374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.678374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.678374 (E_RNA)
where:
Base-Base interactions energy: -80.536
where: short stacking energy: -46.971
Base-Backbone interact. energy: 0.665
local terms energy: -58.807436
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -107.242453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.242453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.242453 (E_RNA)
where:
Base-Base interactions energy: -41.746
where: short stacking energy: -40.140
Base-Backbone interact. energy: -0.846
local terms energy: -64.650894
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -96.041273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.041273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.041273 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -32.211
Base-Backbone interact. energy: 0.767
local terms energy: -57.429664
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -95.367628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.367628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.367628 (E_RNA)
where:
Base-Base interactions energy: -48.030
where: short stacking energy: -37.904
Base-Backbone interact. energy: -0.097
local terms energy: -47.241406
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -4.768
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: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -77.040984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.040984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.040984 (E_RNA)
where:
Base-Base interactions energy: -26.412
where: short stacking energy: -21.068
Base-Backbone interact. energy: -0.385
local terms energy: -50.243506
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -78.842310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.842310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.842310 (E_RNA)
where:
Base-Base interactions energy: -31.105
where: short stacking energy: -29.342
Base-Backbone interact. energy: -0.211
local terms energy: -47.526920
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -216.522578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.522578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.522578 (E_RNA)
where:
Base-Base interactions energy: -140.205
where: short stacking energy: -63.628
Base-Backbone interact. energy: -0.003
local terms energy: -76.314931
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -206.713409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.713409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.713409 (E_RNA)
where:
Base-Base interactions energy: -127.015
where: short stacking energy: -70.156
Base-Backbone interact. energy: -0.025
local terms energy: -79.673871
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -20.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -197.635776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.635776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.635776 (E_RNA)
where:
Base-Base interactions energy: -121.197
where: short stacking energy: -64.268
Base-Backbone interact. energy: -0.022
local terms energy: -76.417644
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -166.086652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.086652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.086652 (E_RNA)
where:
Base-Base interactions energy: -96.735
where: short stacking energy: -53.618
Base-Backbone interact. energy: -0.169
local terms energy: -69.181906
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -146.342075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.342075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.342075 (E_RNA)
where:
Base-Base interactions energy: -85.967
where: short stacking energy: -46.513
Base-Backbone interact. energy: 0.809
local terms energy: -61.184223
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -9.187
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: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -107.533120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.533120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.533120 (E_RNA)
where:
Base-Base interactions energy: -48.338
where: short stacking energy: -32.231
Base-Backbone interact. energy: -1.482
local terms energy: -57.713683
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -93.286893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.286893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.286893 (E_RNA)
where:
Base-Base interactions energy: -35.155
where: short stacking energy: -28.798
Base-Backbone interact. energy: -0.571
local terms energy: -57.560472
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -95.315852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.315852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.315852 (E_RNA)
where:
Base-Base interactions energy: -43.306
where: short stacking energy: -29.238
Base-Backbone interact. energy: -0.135
local terms energy: -51.874438
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -10.455
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: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -88.675099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.675099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.675099 (E_RNA)
where:
Base-Base interactions energy: -45.283
where: short stacking energy: -21.937
Base-Backbone interact. energy: -0.328
local terms energy: -43.063371
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -7.219
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: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -75.383306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.383306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.383306 (E_RNA)
where:
Base-Base interactions energy: -38.119
where: short stacking energy: -33.902
Base-Backbone interact. energy: 5.390
local terms energy: -42.654496
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: 3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -216.771839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.771839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.771839 (E_RNA)
where:
Base-Base interactions energy: -138.714
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.021
local terms energy: -78.036775
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -12.604
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: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -202.343878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.343878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.343878 (E_RNA)
where:
Base-Base interactions energy: -123.928
where: short stacking energy: -78.125
Base-Backbone interact. energy: -0.002
local terms energy: -78.414269
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -200.165439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.165439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.165439 (E_RNA)
where:
Base-Base interactions energy: -126.878
where: short stacking energy: -66.755
Base-Backbone interact. energy: -0.159
local terms energy: -73.128208
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -9.169
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: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -164.919451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.919451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.919451 (E_RNA)
where:
Base-Base interactions energy: -100.732
where: short stacking energy: -36.668
Base-Backbone interact. energy: -0.134
local terms energy: -64.054189
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -166.104289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.104289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.104289 (E_RNA)
where:
Base-Base interactions energy: -102.276
where: short stacking energy: -54.006
Base-Backbone interact. energy: -0.700
local terms energy: -63.128192
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -155.889954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.889954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.889954 (E_RNA)
where:
Base-Base interactions energy: -93.490
where: short stacking energy: -54.222
Base-Backbone interact. energy: -0.377
local terms energy: -62.023066
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -8.820
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -14.876
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: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -105.539182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.539182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.539182 (E_RNA)
where:
Base-Base interactions energy: -56.109
where: short stacking energy: -29.451
Base-Backbone interact. energy: -1.428
local terms energy: -48.002390
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -94.237392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.237392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.237392 (E_RNA)
where:
Base-Base interactions energy: -46.679
where: short stacking energy: -24.218
Base-Backbone interact. energy: -0.558
local terms energy: -46.999946
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: 1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -84.602359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.602359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.602359 (E_RNA)
where:
Base-Base interactions energy: -39.158
where: short stacking energy: -19.205
Base-Backbone interact. energy: -0.260
local terms energy: -45.184181
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -2.126
tors. eta vs tors. theta energy: -4.120
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: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -69.043386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.043386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.043386 (E_RNA)
where:
Base-Base interactions energy: -22.185
where: short stacking energy: -22.185
Base-Backbone interact. energy: -0.206
local terms energy: -46.652055
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: 2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -214.622754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.622754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.622754 (E_RNA)
where:
Base-Base interactions energy: -132.265
where: short stacking energy: -68.533
Base-Backbone interact. energy: -0.041
local terms energy: -82.316849
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -11.217
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: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -214.978707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.978707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.978707 (E_RNA)
where:
Base-Base interactions energy: -143.059
where: short stacking energy: -71.010
Base-Backbone interact. energy: -1.158
local terms energy: -70.761592
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -196.217086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.217086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.217086 (E_RNA)
where:
Base-Base interactions energy: -131.544
where: short stacking energy: -64.173
Base-Backbone interact. energy: -0.142
local terms energy: -64.530613
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -187.589363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.589363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.589363 (E_RNA)
where:
Base-Base interactions energy: -122.517
where: short stacking energy: -48.566
Base-Backbone interact. energy: -0.013
local terms energy: -65.059701
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -185.053622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.053622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.053622 (E_RNA)
where:
Base-Base interactions energy: -114.060
where: short stacking energy: -65.573
Base-Backbone interact. energy: -1.573
local terms energy: -69.421437
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -170.844864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.844864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.844864 (E_RNA)
where:
Base-Base interactions energy: -102.334
where: short stacking energy: -55.085
Base-Backbone interact. energy: -0.584
local terms energy: -67.927120
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -97.914395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.914395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.914395 (E_RNA)
where:
Base-Base interactions energy: -42.629
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.002
local terms energy: -55.283046
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -8.473
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: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -86.490145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.490145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.490145 (E_RNA)
where:
Base-Base interactions energy: -34.004
where: short stacking energy: -27.967
Base-Backbone interact. energy: 1.038
local terms energy: -53.524000
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -120.179861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.179861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.179861 (E_RNA)
where:
Base-Base interactions energy: -62.203
where: short stacking energy: -36.832
Base-Backbone interact. energy: -0.101
local terms energy: -57.876157
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -79.730149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.730149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.730149 (E_RNA)
where:
Base-Base interactions energy: -27.924
where: short stacking energy: -17.258
Base-Backbone interact. energy: -0.993
local terms energy: -50.813319
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -216.761681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.761681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.761681 (E_RNA)
where:
Base-Base interactions energy: -132.413
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.049
local terms energy: -84.299723
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -209.257061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.257061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.257061 (E_RNA)
where:
Base-Base interactions energy: -132.182
where: short stacking energy: -61.054
Base-Backbone interact. energy: -0.328
local terms energy: -76.747387
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -14.630
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: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -191.755187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.755187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.755187 (E_RNA)
where:
Base-Base interactions energy: -119.931
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.022
local terms energy: -71.802643
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -165.313404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.313404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.313404 (E_RNA)
where:
Base-Base interactions energy: -96.592
where: short stacking energy: -51.449
Base-Backbone interact. energy: 2.096
local terms energy: -70.817578
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -165.676524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.676524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.676524 (E_RNA)
where:
Base-Base interactions energy: -93.048
where: short stacking energy: -52.514
Base-Backbone interact. energy: -1.122
local terms energy: -71.506926
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -164.914673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914673 (E_RNA)
where:
Base-Base interactions energy: -96.683
where: short stacking energy: -61.737
Base-Backbone interact. energy: -0.012
local terms energy: -68.218812
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -110.851865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.851865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.851865 (E_RNA)
where:
Base-Base interactions energy: -48.471
where: short stacking energy: -42.899
Base-Backbone interact. energy: -0.101
local terms energy: -62.279927
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -7.328
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: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -102.979244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.979244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.979244 (E_RNA)
where:
Base-Base interactions energy: -65.307
where: short stacking energy: -45.004
Base-Backbone interact. energy: 0.088
local terms energy: -37.759792
where:
bonds (distance) C4'-P energy: -5.834
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -77.893335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.893335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.893335 (E_RNA)
where:
Base-Base interactions energy: -26.612
where: short stacking energy: -26.379
Base-Backbone interact. energy: -0.147
local terms energy: -51.134943
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -78.546359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.546359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.546359 (E_RNA)
where:
Base-Base interactions energy: -29.051
where: short stacking energy: -13.834
Base-Backbone interact. energy: -0.700
local terms energy: -48.795377
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -216.099476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.099476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.099476 (E_RNA)
where:
Base-Base interactions energy: -133.931
where: short stacking energy: -68.515
Base-Backbone interact. energy: -1.474
local terms energy: -80.694615
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -11.922
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: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -215.193993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.193993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.193993 (E_RNA)
where:
Base-Base interactions energy: -146.389
where: short stacking energy: -60.997
Base-Backbone interact. energy: -0.068
local terms energy: -68.737139
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -13.387
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: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -195.019313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.019313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.019313 (E_RNA)
where:
Base-Base interactions energy: -121.949
where: short stacking energy: -63.290
Base-Backbone interact. energy: -0.030
local terms energy: -73.040621
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -21.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -171.292120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.292120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.292120 (E_RNA)
where:
Base-Base interactions energy: -107.848
where: short stacking energy: -51.214
Base-Backbone interact. energy: -0.377
local terms energy: -63.066633
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -13.167
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: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -189.699854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.699854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.699854 (E_RNA)
where:
Base-Base interactions energy: -118.836
where: short stacking energy: -63.269
Base-Backbone interact. energy: 0.571
local terms energy: -71.434820
where:
bonds (distance) C4'-P energy: -7.714
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -158.692791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.692791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.692791 (E_RNA)
where:
Base-Base interactions energy: -102.232
where: short stacking energy: -58.633
Base-Backbone interact. energy: -0.014
local terms energy: -56.446695
where:
bonds (distance) C4'-P energy: -6.589
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -9.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -89.368575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.368575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.368575 (E_RNA)
where:
Base-Base interactions energy: -34.499
where: short stacking energy: -32.442
Base-Backbone interact. energy: -0.085
local terms energy: -54.784536
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -89.451921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.451921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.451921 (E_RNA)
where:
Base-Base interactions energy: -34.330
where: short stacking energy: -29.067
Base-Backbone interact. energy: 0.897
local terms energy: -56.018766
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -4.592
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: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -77.866432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.866432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.866432 (E_RNA)
where:
Base-Base interactions energy: -26.319
where: short stacking energy: -23.262
Base-Backbone interact. energy: -0.375
local terms energy: -51.172132
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -83.484755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.484755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.484755 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -19.910
Base-Backbone interact. energy: -0.227
local terms energy: -51.776103
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -213.455692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.455692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.455692 (E_RNA)
where:
Base-Base interactions energy: -140.177
where: short stacking energy: -72.942
Base-Backbone interact. energy: -0.211
local terms energy: -73.068571
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -213.735474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.735474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.735474 (E_RNA)
where:
Base-Base interactions energy: -147.245
where: short stacking energy: -63.641
Base-Backbone interact. energy: -0.013
local terms energy: -66.477275
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -8.892
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: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -200.261852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.261852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.261852 (E_RNA)
where:
Base-Base interactions energy: -124.485
where: short stacking energy: -62.766
Base-Backbone interact. energy: -2.209
local terms energy: -73.568347
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -177.208565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.208565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.208565 (E_RNA)
where:
Base-Base interactions energy: -106.247
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.001
local terms energy: -70.960474
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -14.609
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: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -168.827717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.827717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.827717 (E_RNA)
where:
Base-Base interactions energy: -98.110
where: short stacking energy: -60.050
Base-Backbone interact. energy: -0.041
local terms energy: -70.676513
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -169.496690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.496690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.496690 (E_RNA)
where:
Base-Base interactions energy: -99.535
where: short stacking energy: -55.572
Base-Backbone interact. energy: -2.394
local terms energy: -67.568232
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -80.348215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.348215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.348215 (E_RNA)
where:
Base-Base interactions energy: -26.467
where: short stacking energy: -24.737
Base-Backbone interact. energy: -0.305
local terms energy: -53.576162
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -83.492621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.492621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.492621 (E_RNA)
where:
Base-Base interactions energy: -42.383
where: short stacking energy: -26.502
Base-Backbone interact. energy: 0.522
local terms energy: -41.631399
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -9.211
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -80.284508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.284508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.284508 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -29.817
Base-Backbone interact. energy: -0.105
local terms energy: -50.362514
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -80.896761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.896761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.896761 (E_RNA)
where:
Base-Base interactions energy: -30.310
where: short stacking energy: -22.240
Base-Backbone interact. energy: -0.686
local terms energy: -49.900747
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -5.227
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: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -212.871615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.871615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.871615 (E_RNA)
where:
Base-Base interactions energy: -136.798
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.374
local terms energy: -75.699055
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -210.785031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.785031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.785031 (E_RNA)
where:
Base-Base interactions energy: -138.827
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.010
local terms energy: -71.947721
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -192.551816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.551816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.551816 (E_RNA)
where:
Base-Base interactions energy: -113.606
where: short stacking energy: -62.106
Base-Backbone interact. energy: -1.423
local terms energy: -77.522802
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -11.810
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: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -202.407856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.407856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.407856 (E_RNA)
where:
Base-Base interactions energy: -127.467
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.041
local terms energy: -74.900263
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -173.567297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.567297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.567297 (E_RNA)
where:
Base-Base interactions energy: -102.828
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.370
local terms energy: -70.368804
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -143.963747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.963747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.963747 (E_RNA)
where:
Base-Base interactions energy: -83.081
where: short stacking energy: -52.379
Base-Backbone interact. energy: -0.654
local terms energy: -60.228208
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -88.602444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.602444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.602444 (E_RNA)
where:
Base-Base interactions energy: -30.219
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.081
local terms energy: -58.302604
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -82.636811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.636811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.636811 (E_RNA)
where:
Base-Base interactions energy: -27.484
where: short stacking energy: -23.194
Base-Backbone interact. energy: -0.632
local terms energy: -54.520660
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -77.987493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.987493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.987493 (E_RNA)
where:
Base-Base interactions energy: -30.979
where: short stacking energy: -25.343
Base-Backbone interact. energy: -0.300
local terms energy: -46.708176
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: 1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -71.385694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.385694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.385694 (E_RNA)
where:
Base-Base interactions energy: -26.197
where: short stacking energy: -18.752
Base-Backbone interact. energy: -0.258
local terms energy: -44.930742
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: 1.882
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: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -214.353115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.353115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.353115 (E_RNA)
where:
Base-Base interactions energy: -136.077
where: short stacking energy: -66.803
Base-Backbone interact. energy: -1.557
local terms energy: -76.718589
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -12.321
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: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -211.847398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.847398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.847398 (E_RNA)
where:
Base-Base interactions energy: -131.645
where: short stacking energy: -72.279
Base-Backbone interact. energy: -0.809
local terms energy: -79.392956
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -183.500600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.500600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.500600 (E_RNA)
where:
Base-Base interactions energy: -111.288
where: short stacking energy: -59.208
Base-Backbone interact. energy: -0.611
local terms energy: -71.601453
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -159.088616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.088616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.088616 (E_RNA)
where:
Base-Base interactions energy: -91.494
where: short stacking energy: -56.500
Base-Backbone interact. energy: -0.062
local terms energy: -67.532761
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -188.906021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.906021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.906021 (E_RNA)
where:
Base-Base interactions energy: -121.672
where: short stacking energy: -55.123
Base-Backbone interact. energy: -0.407
local terms energy: -66.827670
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -119.710844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.710844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.710844 (E_RNA)
where:
Base-Base interactions energy: -62.222
where: short stacking energy: -43.022
Base-Backbone interact. energy: 0.143
local terms energy: -57.631905
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -91.423752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.423752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.423752 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.085
local terms energy: -52.909466
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -94.440307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.440307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.440307 (E_RNA)
where:
Base-Base interactions energy: -46.779
where: short stacking energy: -42.821
Base-Backbone interact. energy: -0.197
local terms energy: -47.464340
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -88.166199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.166199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.166199 (E_RNA)
where:
Base-Base interactions energy: -33.377
where: short stacking energy: -26.591
Base-Backbone interact. energy: -0.845
local terms energy: -53.944115
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -0.057
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: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -80.400170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.400170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.400170 (E_RNA)
where:
Base-Base interactions energy: -34.008
where: short stacking energy: -28.817
Base-Backbone interact. energy: 0.037
local terms energy: -46.429257
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -213.494443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.494443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.494443 (E_RNA)
where:
Base-Base interactions energy: -145.213
where: short stacking energy: -66.566
Base-Backbone interact. energy: -0.161
local terms energy: -68.120028
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -189.330562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.330562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.330562 (E_RNA)
where:
Base-Base interactions energy: -113.945
where: short stacking energy: -57.468
Base-Backbone interact. energy: -1.402
local terms energy: -73.983768
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -196.013156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.013156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.013156 (E_RNA)
where:
Base-Base interactions energy: -118.043
where: short stacking energy: -54.201
Base-Backbone interact. energy: -0.016
local terms energy: -77.954416
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -168.883415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.883415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.883415 (E_RNA)
where:
Base-Base interactions energy: -106.294
where: short stacking energy: -49.933
Base-Backbone interact. energy: 2.194
local terms energy: -64.782573
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -177.820599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.820599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.820599 (E_RNA)
where:
Base-Base interactions energy: -111.869
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.164
local terms energy: -65.787531
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -13.761
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: 6, replica: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -120.795467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.795467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.795467 (E_RNA)
where:
Base-Base interactions energy: -64.772
where: short stacking energy: -38.757
Base-Backbone interact. energy: -0.521
local terms energy: -55.503276
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -7.539
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -95.946755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.946755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.946755 (E_RNA)
where:
Base-Base interactions energy: -39.734
where: short stacking energy: -39.734
Base-Backbone interact. energy: -0.169
local terms energy: -56.043969
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -9.767
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: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -99.149891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.149891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.149891 (E_RNA)
where:
Base-Base interactions energy: -50.106
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.088
local terms energy: -48.956425
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -86.697789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.697789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.697789 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.081
local terms energy: -53.898763
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.464
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: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -75.309065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.309065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.309065 (E_RNA)
where:
Base-Base interactions energy: -31.097
where: short stacking energy: -31.097
Base-Backbone interact. energy: -0.077
local terms energy: -44.134450
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -3.757
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -202.616751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.616751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.616751 (E_RNA)
where:
Base-Base interactions energy: -127.820
where: short stacking energy: -53.525
Base-Backbone interact. energy: -1.201
local terms energy: -73.595092
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -177.052149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.052149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.052149 (E_RNA)
where:
Base-Base interactions energy: -108.524
where: short stacking energy: -68.432
Base-Backbone interact. energy: -0.041
local terms energy: -68.487919
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -195.756413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.756413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.756413 (E_RNA)
where:
Base-Base interactions energy: -120.324
where: short stacking energy: -63.175
Base-Backbone interact. energy: -1.070
local terms energy: -74.362440
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -19.261
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: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -192.051176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.051176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.051176 (E_RNA)
where:
Base-Base interactions energy: -120.107
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.340
local terms energy: -71.604608
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -16.441
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: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -167.550718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.550718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.550718 (E_RNA)
where:
Base-Base interactions energy: -103.113
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.068
local terms energy: -64.369561
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -11.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -102.145601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.145601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.145601 (E_RNA)
where:
Base-Base interactions energy: -42.071
where: short stacking energy: -37.191
Base-Backbone interact. energy: -0.061
local terms energy: -60.013661
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -94.924609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.924609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.924609 (E_RNA)
where:
Base-Base interactions energy: -38.475
where: short stacking energy: -28.631
Base-Backbone interact. energy: -0.259
local terms energy: -56.190888
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -82.239162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.239162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.239162 (E_RNA)
where:
Base-Base interactions energy: -29.260
where: short stacking energy: -25.942
Base-Backbone interact. energy: -0.144
local terms energy: -52.834927
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -83.984056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.984056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.984056 (E_RNA)
where:
Base-Base interactions energy: -31.564
where: short stacking energy: -24.491
Base-Backbone interact. energy: 0.170
local terms energy: -52.589982
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -8.834
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: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -71.183943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.183943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.183943 (E_RNA)
where:
Base-Base interactions energy: -27.658
where: short stacking energy: -25.702
Base-Backbone interact. energy: -0.217
local terms energy: -43.309647
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: 1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -206.519540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.519540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.519540 (E_RNA)
where:
Base-Base interactions energy: -130.552
where: short stacking energy: -61.257
Base-Backbone interact. energy: 0.272
local terms energy: -76.239478
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -194.784910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.784910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.784910 (E_RNA)
where:
Base-Base interactions energy: -118.975
where: short stacking energy: -60.284
Base-Backbone interact. energy: -0.002
local terms energy: -75.808319
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -201.134966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.134966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.134966 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -65.618
Base-Backbone interact. energy: -2.163
local terms energy: -76.658477
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -190.039703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.039703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.039703 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.073
local terms energy: -79.479808
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -15.448
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: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -178.663397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.663397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.663397 (E_RNA)
where:
Base-Base interactions energy: -108.317
where: short stacking energy: -54.681
Base-Backbone interact. energy: -0.115
local terms energy: -70.231516
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -18.522
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: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -96.726642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.726642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.726642 (E_RNA)
where:
Base-Base interactions energy: -36.132
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.110
local terms energy: -60.484337
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -97.334673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.334673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.334673 (E_RNA)
where:
Base-Base interactions energy: -39.243
where: short stacking energy: -24.870
Base-Backbone interact. energy: -0.104
local terms energy: -57.988008
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -8.771
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: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -88.051982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.051982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.051982 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -29.238
Base-Backbone interact. energy: -0.069
local terms energy: -55.438062
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -82.356413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.356413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.356413 (E_RNA)
where:
Base-Base interactions energy: -25.130
where: short stacking energy: -21.269
Base-Backbone interact. energy: -0.018
local terms energy: -57.208580
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -7.206
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: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -76.779815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.779815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.779815 (E_RNA)
where:
Base-Base interactions energy: -24.161
where: short stacking energy: -24.161
Base-Backbone interact. energy: 0.744
local terms energy: -53.363065
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -4.411
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: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -215.747975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.747975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.747975 (E_RNA)
where:
Base-Base interactions energy: -145.427
where: short stacking energy: -69.424
Base-Backbone interact. energy: -0.037
local terms energy: -70.283192
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -17.625
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: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -202.001326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.001326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.001326 (E_RNA)
where:
Base-Base interactions energy: -126.898
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.013
local terms energy: -75.090842
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -186.117222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.117222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.117222 (E_RNA)
where:
Base-Base interactions energy: -117.158
where: short stacking energy: -59.571
Base-Backbone interact. energy: -1.318
local terms energy: -67.640477
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -14.780
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: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -189.261972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.261972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.261972 (E_RNA)
where:
Base-Base interactions energy: -117.653
where: short stacking energy: -62.537
Base-Backbone interact. energy: -0.273
local terms energy: -71.335405
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -18.678
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: 405
Temperature: 1.100000
Total energy: -186.327267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.327267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.327267 (E_RNA)
where:
Base-Base interactions energy: -123.709
where: short stacking energy: -62.490
Base-Backbone interact. energy: -0.101
local terms energy: -62.517349
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -99.487117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.487117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.487117 (E_RNA)
where:
Base-Base interactions energy: -36.443
where: short stacking energy: -22.594
Base-Backbone interact. energy: -0.219
local terms energy: -62.825334
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -89.241722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.241722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.241722 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -37.085
Base-Backbone interact. energy: 0.156
local terms energy: -50.621495
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: 1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -93.551344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.551344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.551344 (E_RNA)
where:
Base-Base interactions energy: -44.207
where: short stacking energy: -36.194
Base-Backbone interact. energy: -0.031
local terms energy: -49.313405
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -3.319
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: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -79.218235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.218235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.218235 (E_RNA)
where:
Base-Base interactions energy: -35.434
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.100
local terms energy: -43.684434
where:
bonds (distance) C4'-P energy: -8.460
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -76.454277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.454277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.454277 (E_RNA)
where:
Base-Base interactions energy: -28.355
where: short stacking energy: -27.616
Base-Backbone interact. energy: -0.013
local terms energy: -48.086730
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: 1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -214.657591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.657591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.657591 (E_RNA)
where:
Base-Base interactions energy: -134.384
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.898
local terms energy: -79.375295
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -206.027280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.027280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.027280 (E_RNA)
where:
Base-Base interactions energy: -128.206
where: short stacking energy: -67.168
Base-Backbone interact. energy: -0.326
local terms energy: -77.495294
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -10.861
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: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -187.614278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.614278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.614278 (E_RNA)
where:
Base-Base interactions energy: -120.790
where: short stacking energy: -50.424
Base-Backbone interact. energy: -0.221
local terms energy: -66.602577
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -175.008262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.008262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.008262 (E_RNA)
where:
Base-Base interactions energy: -104.059
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.583
local terms energy: -70.365978
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -162.369105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.369105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.369105 (E_RNA)
where:
Base-Base interactions energy: -90.084
where: short stacking energy: -48.043
Base-Backbone interact. energy: -1.520
local terms energy: -70.765492
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -13.597
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: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -90.504661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.504661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.504661 (E_RNA)
where:
Base-Base interactions energy: -31.461
where: short stacking energy: -30.746
Base-Backbone interact. energy: -0.052
local terms energy: -58.990736
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -9.929
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: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -87.216556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.216556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.216556 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -29.831
Base-Backbone interact. energy: 0.637
local terms energy: -52.118488
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.684
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: 8, replica: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -78.379298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.379298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.379298 (E_RNA)
where:
Base-Base interactions energy: -36.998
where: short stacking energy: -33.519
Base-Backbone interact. energy: -0.170
local terms energy: -41.211867
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -6.405
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -83.494390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.494390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.494390 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -32.770
Base-Backbone interact. energy: 1.955
local terms energy: -46.610846
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -3.584
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: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -74.557612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.557612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.557612 (E_RNA)
where:
Base-Base interactions energy: -31.155
where: short stacking energy: -25.250
Base-Backbone interact. energy: -0.741
local terms energy: -42.662221
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: 4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -211.275841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.275841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.275841 (E_RNA)
where:
Base-Base interactions energy: -131.885
where: short stacking energy: -64.130
Base-Backbone interact. energy: -0.856
local terms energy: -78.534923
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -207.267908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.267908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.267908 (E_RNA)
where:
Base-Base interactions energy: -126.513
where: short stacking energy: -72.772
Base-Backbone interact. energy: -0.148
local terms energy: -80.607156
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -204.841010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.841010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.841010 (E_RNA)
where:
Base-Base interactions energy: -133.743
where: short stacking energy: -65.731
Base-Backbone interact. energy: -0.365
local terms energy: -70.732925
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -165.937808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.937808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.937808 (E_RNA)
where:
Base-Base interactions energy: -107.590
where: short stacking energy: -62.859
Base-Backbone interact. energy: -0.002
local terms energy: -58.345025
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -177.805375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.805375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.805375 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -60.365
Base-Backbone interact. energy: -0.788
local terms energy: -62.596768
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -102.575505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.575505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.575505 (E_RNA)
where:
Base-Base interactions energy: -49.960
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.004
local terms energy: -52.610824
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -5.552
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: 407
Temperature: 1.200000
Total energy: -89.488216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.488216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.488216 (E_RNA)
where:
Base-Base interactions energy: -39.484
where: short stacking energy: -39.484
Base-Backbone interact. energy: -0.003
local terms energy: -50.000841
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -8.146
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: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -90.393053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.393053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.393053 (E_RNA)
where:
Base-Base interactions energy: -34.595
where: short stacking energy: -32.389
Base-Backbone interact. energy: -0.056
local terms energy: -55.742091
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -8.079
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: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -80.598697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.598697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.598697 (E_RNA)
where:
Base-Base interactions energy: -29.988
where: short stacking energy: -29.988
Base-Backbone interact. energy: 0.642
local terms energy: -51.252631
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -74.004759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.004759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.004759 (E_RNA)
where:
Base-Base interactions energy: -32.781
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.493
local terms energy: -40.730646
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: 2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -215.356836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.356836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.356836 (E_RNA)
where:
Base-Base interactions energy: -144.632
where: short stacking energy: -71.876
Base-Backbone interact. energy: -0.003
local terms energy: -70.721786
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -207.836656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.836656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.836656 (E_RNA)
where:
Base-Base interactions energy: -132.857
where: short stacking energy: -65.601
Base-Backbone interact. energy: -0.084
local terms energy: -74.895964
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -171.033059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.033059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.033059 (E_RNA)
where:
Base-Base interactions energy: -102.136
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.286
local terms energy: -68.611364
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -184.717953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.717953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.717953 (E_RNA)
where:
Base-Base interactions energy: -107.299
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.466
local terms energy: -76.952603
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -172.612516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.612516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.612516 (E_RNA)
where:
Base-Base interactions energy: -108.556
where: short stacking energy: -55.051
Base-Backbone interact. energy: -0.022
local terms energy: -64.034770
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -100.169769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.169769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.169769 (E_RNA)
where:
Base-Base interactions energy: -41.022
where: short stacking energy: -38.960
Base-Backbone interact. energy: -0.072
local terms energy: -59.075315
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -8.282
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: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -92.877854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.877854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.877854 (E_RNA)
where:
Base-Base interactions energy: -32.109
where: short stacking energy: -31.743
Base-Backbone interact. energy: -0.001
local terms energy: -60.768069
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -89.526940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.526940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.526940 (E_RNA)
where:
Base-Base interactions energy: -45.525
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.011
local terms energy: -43.990473
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -78.080624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.080624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.080624 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -24.395
Base-Backbone interact. energy: 1.753
local terms energy: -43.116353
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -77.955171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.955171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.955171 (E_RNA)
where:
Base-Base interactions energy: -23.433
where: short stacking energy: -22.200
Base-Backbone interact. energy: -0.702
local terms energy: -53.819719
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: 0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -213.582795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.582795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.582795 (E_RNA)
where:
Base-Base interactions energy: -141.169
where: short stacking energy: -72.469
Base-Backbone interact. energy: -1.389
local terms energy: -71.025166
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -207.848596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.848596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.848596 (E_RNA)
where:
Base-Base interactions energy: -138.585
where: short stacking energy: -67.585
Base-Backbone interact. energy: -0.574
local terms energy: -68.689299
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -11.174
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: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -171.849607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.849607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.849607 (E_RNA)
where:
Base-Base interactions energy: -100.385
where: short stacking energy: -52.809
Base-Backbone interact. energy: -0.591
local terms energy: -70.873521
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -10.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -170.676245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.676245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.676245 (E_RNA)
where:
Base-Base interactions energy: -103.970
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.044
local terms energy: -66.662788
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -175.140470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.140470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.140470 (E_RNA)
where:
Base-Base interactions energy: -104.331
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.105
local terms energy: -70.704083
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -12.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -103.594520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.594520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.594520 (E_RNA)
where:
Base-Base interactions energy: -46.418
where: short stacking energy: -40.150
Base-Backbone interact. energy: -0.271
local terms energy: -56.905096
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -95.672967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.672967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.672967 (E_RNA)
where:
Base-Base interactions energy: -40.272
where: short stacking energy: -40.272
Base-Backbone interact. energy: -0.126
local terms energy: -55.274679
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.248
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: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -84.558142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.558142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.558142 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -39.538
Base-Backbone interact. energy: -0.173
local terms energy: -44.847686
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -4.769
flat angles P-C4'-P energy: -8.013
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: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -88.898689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.898689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.898689 (E_RNA)
where:
Base-Base interactions energy: -33.962
where: short stacking energy: -33.465
Base-Backbone interact. energy: -0.371
local terms energy: -54.565771
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -80.003393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.003393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.003393 (E_RNA)
where:
Base-Base interactions energy: -39.223
where: short stacking energy: -34.135
Base-Backbone interact. energy: -0.140
local terms energy: -40.639738
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -8.883
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: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -216.687533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.687533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.687533 (E_RNA)
where:
Base-Base interactions energy: -136.915
where: short stacking energy: -76.851
Base-Backbone interact. energy: -0.008
local terms energy: -79.764824
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -213.699728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.699728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.699728 (E_RNA)
where:
Base-Base interactions energy: -140.657
where: short stacking energy: -69.002
Base-Backbone interact. energy: -0.586
local terms energy: -72.456385
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -11.372
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: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -181.589260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.589260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.589260 (E_RNA)
where:
Base-Base interactions energy: -111.092
where: short stacking energy: -56.539
Base-Backbone interact. energy: -0.002
local terms energy: -70.494469
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -153.041843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.041843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.041843 (E_RNA)
where:
Base-Base interactions energy: -89.119
where: short stacking energy: -40.091
Base-Backbone interact. energy: 0.553
local terms energy: -64.475659
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -11.936
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: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -180.028962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.028962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.028962 (E_RNA)
where:
Base-Base interactions energy: -113.235
where: short stacking energy: -62.565
Base-Backbone interact. energy: -0.768
local terms energy: -66.025649
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -140.736233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.736233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.736233 (E_RNA)
where:
Base-Base interactions energy: -71.770
where: short stacking energy: -45.012
Base-Backbone interact. energy: -0.623
local terms energy: -68.343018
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -9.622
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: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -95.936011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.936011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.936011 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -27.729
Base-Backbone interact. energy: -0.221
local terms energy: -60.122032
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -11.310
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: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -85.555076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.555076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.555076 (E_RNA)
where:
Base-Base interactions energy: -39.932
where: short stacking energy: -31.796
Base-Backbone interact. energy: -0.273
local terms energy: -45.350473
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -8.688
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.154
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: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -92.549456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.549456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.549456 (E_RNA)
where:
Base-Base interactions energy: -40.565
where: short stacking energy: -28.250
Base-Backbone interact. energy: 0.290
local terms energy: -52.274504
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -2.578
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: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -71.354018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.354018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.354018 (E_RNA)
where:
Base-Base interactions energy: -22.270
where: short stacking energy: -16.574
Base-Backbone interact. energy: -0.515
local terms energy: -48.568701
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -8.800
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -216.853317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.853317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.853317 (E_RNA)
where:
Base-Base interactions energy: -140.985
where: short stacking energy: -72.871
Base-Backbone interact. energy: -0.009
local terms energy: -75.859445
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -215.464553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.464553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.464553 (E_RNA)
where:
Base-Base interactions energy: -135.581
where: short stacking energy: -64.884
Base-Backbone interact. energy: 0.023
local terms energy: -79.907048
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -183.265095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.265095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.265095 (E_RNA)
where:
Base-Base interactions energy: -110.397
where: short stacking energy: -60.780
Base-Backbone interact. energy: -0.005
local terms energy: -72.862803
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -193.498285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.498285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.498285 (E_RNA)
where:
Base-Base interactions energy: -123.455
where: short stacking energy: -60.281
Base-Backbone interact. energy: -0.431
local terms energy: -69.612672
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -155.826530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.826530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.826530 (E_RNA)
where:
Base-Base interactions energy: -88.707
where: short stacking energy: -57.876
Base-Backbone interact. energy: -0.027
local terms energy: -67.092605
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -125.303261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.303261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.303261 (E_RNA)
where:
Base-Base interactions energy: -66.787
where: short stacking energy: -38.977
Base-Backbone interact. energy: -0.153
local terms energy: -58.363618
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -8.427
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: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -102.393537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.393537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.393537 (E_RNA)
where:
Base-Base interactions energy: -46.321
where: short stacking energy: -41.389
Base-Backbone interact. energy: -0.050
local terms energy: -56.023146
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -77.080480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.080480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.080480 (E_RNA)
where:
Base-Base interactions energy: -29.448
where: short stacking energy: -28.769
Base-Backbone interact. energy: -0.181
local terms energy: -47.451705
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -86.323806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.323806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.323806 (E_RNA)
where:
Base-Base interactions energy: -37.064
where: short stacking energy: -34.239
Base-Backbone interact. energy: -0.153
local terms energy: -49.106787
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -12.362
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: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -85.005248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.005248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.005248 (E_RNA)
where:
Base-Base interactions energy: -22.865
where: short stacking energy: -22.865
Base-Backbone interact. energy: -0.325
local terms energy: -61.815449
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -217.027396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.027396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.027396 (E_RNA)
where:
Base-Base interactions energy: -143.155
where: short stacking energy: -66.093
Base-Backbone interact. energy: -0.002
local terms energy: -73.870250
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -205.432933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.432933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.432933 (E_RNA)
where:
Base-Base interactions energy: -129.615
where: short stacking energy: -76.338
Base-Backbone interact. energy: -0.284
local terms energy: -75.533965
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -210.457025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.457025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.457025 (E_RNA)
where:
Base-Base interactions energy: -139.574
where: short stacking energy: -56.352
Base-Backbone interact. energy: 0.120
local terms energy: -71.003739
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -151.452373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.452373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.452373 (E_RNA)
where:
Base-Base interactions energy: -86.641
where: short stacking energy: -40.693
Base-Backbone interact. energy: -0.268
local terms energy: -64.543789
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -8.130
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: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -153.154800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.154800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.154800 (E_RNA)
where:
Base-Base interactions energy: -92.930
where: short stacking energy: -58.627
Base-Backbone interact. energy: -0.122
local terms energy: -60.103025
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -155.412648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.412648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.412648 (E_RNA)
where:
Base-Base interactions energy: -92.268
where: short stacking energy: -47.143
Base-Backbone interact. energy: -0.030
local terms energy: -63.114411
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -101.555993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.555993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.555993 (E_RNA)
where:
Base-Base interactions energy: -47.567
where: short stacking energy: -47.567
Base-Backbone interact. energy: -0.060
local terms energy: -53.928138
where:
bonds (distance) C4'-P energy: -6.628
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -11.021
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: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -91.574069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.574069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.574069 (E_RNA)
where:
Base-Base interactions energy: -35.673
where: short stacking energy: -34.675
Base-Backbone interact. energy: -0.160
local terms energy: -55.741512
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -82.922023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.922023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.922023 (E_RNA)
where:
Base-Base interactions energy: -33.983
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.041
local terms energy: -48.897637
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -82.963737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.963737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.963737 (E_RNA)
where:
Base-Base interactions energy: -32.738
where: short stacking energy: -32.585
Base-Backbone interact. energy: -0.017
local terms energy: -50.209383
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -213.620221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.620221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.620221 (E_RNA)
where:
Base-Base interactions energy: -136.277
where: short stacking energy: -67.276
Base-Backbone interact. energy: -0.000
local terms energy: -77.342536
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -211.604922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.604922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.604922 (E_RNA)
where:
Base-Base interactions energy: -136.226
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.124
local terms energy: -75.255632
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -208.995424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.995424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.995424 (E_RNA)
where:
Base-Base interactions energy: -140.258
where: short stacking energy: -56.860
Base-Backbone interact. energy: -0.078
local terms energy: -68.658877
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -12.447
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: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -162.333269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.333269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.333269 (E_RNA)
where:
Base-Base interactions energy: -100.907
where: short stacking energy: -56.731
Base-Backbone interact. energy: -0.506
local terms energy: -60.920134
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -9.586
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: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -152.481633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.481633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.481633 (E_RNA)
where:
Base-Base interactions energy: -91.413
where: short stacking energy: -49.351
Base-Backbone interact. energy: -0.008
local terms energy: -61.060919
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -130.464029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.464029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.464029 (E_RNA)
where:
Base-Base interactions energy: -74.900
where: short stacking energy: -44.100
Base-Backbone interact. energy: -0.344
local terms energy: -55.219668
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -97.561472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.561472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.561472 (E_RNA)
where:
Base-Base interactions energy: -56.390
where: short stacking energy: -39.656
Base-Backbone interact. energy: -0.491
local terms energy: -40.680271
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -95.702984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.702984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.702984 (E_RNA)
where:
Base-Base interactions energy: -48.891
where: short stacking energy: -21.030
Base-Backbone interact. energy: 1.275
local terms energy: -48.087027
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -76.879070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.879070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.879070 (E_RNA)
where:
Base-Base interactions energy: -27.447
where: short stacking energy: -23.728
Base-Backbone interact. energy: 0.391
local terms energy: -49.823354
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -3.334
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -89.373036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.373036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.373036 (E_RNA)
where:
Base-Base interactions energy: -40.237
where: short stacking energy: -31.000
Base-Backbone interact. energy: -0.429
local terms energy: -48.707556
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -7.901
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -212.303535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.303535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.303535 (E_RNA)
where:
Base-Base interactions energy: -132.927
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.962
local terms energy: -78.414825
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -12.196
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: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -209.443021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.443021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.443021 (E_RNA)
where:
Base-Base interactions energy: -136.633
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.095
local terms energy: -72.714989
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.097
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: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -182.019107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.019107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.019107 (E_RNA)
where:
Base-Base interactions energy: -112.037
where: short stacking energy: -57.472
Base-Backbone interact. energy: -0.105
local terms energy: -69.876684
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -210.733672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.733672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.733672 (E_RNA)
where:
Base-Base interactions energy: -132.301
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.451
local terms energy: -77.982305
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -175.616049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.616049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.616049 (E_RNA)
where:
Base-Base interactions energy: -106.814
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.006
local terms energy: -68.796693
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -8.920
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: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -103.028866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.028866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.028866 (E_RNA)
where:
Base-Base interactions energy: -45.510
where: short stacking energy: -41.919
Base-Backbone interact. energy: -0.585
local terms energy: -56.933854
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -2.422
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -94.363277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.363277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.363277 (E_RNA)
where:
Base-Base interactions energy: -47.365
where: short stacking energy: -31.477
Base-Backbone interact. energy: -0.297
local terms energy: -46.700995
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -129.170014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.170014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.170014 (E_RNA)
where:
Base-Base interactions energy: -68.635
where: short stacking energy: -41.002
Base-Backbone interact. energy: -0.122
local terms energy: -60.413215
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -93.801416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.801416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.801416 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -23.433
Base-Backbone interact. energy: -0.437
local terms energy: -55.446810
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -9.235
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: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -79.996992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.996992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.996992 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -28.495
Base-Backbone interact. energy: -0.101
local terms energy: -49.060926
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -5.670
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: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -223.061096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.061096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.061096 (E_RNA)
where:
Base-Base interactions energy: -137.208
where: short stacking energy: -75.970
Base-Backbone interact. energy: -0.020
local terms energy: -85.832588
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -21.203
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: 415
Temperature: 0.950000
Total energy: -186.086591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.086591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.086591 (E_RNA)
where:
Base-Base interactions energy: -115.326
where: short stacking energy: -62.192
Base-Backbone interact. energy: 0.089
local terms energy: -70.849582
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -203.037477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.037477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.037477 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -61.069
Base-Backbone interact. energy: 0.370
local terms energy: -73.320252
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -17.426
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: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -171.894760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.894760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.894760 (E_RNA)
where:
Base-Base interactions energy: -105.515
where: short stacking energy: -58.440
Base-Backbone interact. energy: -0.091
local terms energy: -66.289252
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -168.340998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.340998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.340998 (E_RNA)
where:
Base-Base interactions energy: -101.485
where: short stacking energy: -45.267
Base-Backbone interact. energy: -0.106
local terms energy: -66.750115
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -104.620737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.620737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.620737 (E_RNA)
where:
Base-Base interactions energy: -40.630
where: short stacking energy: -39.315
Base-Backbone interact. energy: -0.089
local terms energy: -63.901226
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -112.788689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.788689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.788689 (E_RNA)
where:
Base-Base interactions energy: -58.727
where: short stacking energy: -36.285
Base-Backbone interact. energy: 0.202
local terms energy: -54.264066
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -9.361
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: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -103.584081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.584081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.584081 (E_RNA)
where:
Base-Base interactions energy: -51.282
where: short stacking energy: -31.699
Base-Backbone interact. energy: -0.180
local terms energy: -52.122552
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -132.935380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.935380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.935380 (E_RNA)
where:
Base-Base interactions energy: -74.070
where: short stacking energy: -42.788
Base-Backbone interact. energy: -0.001
local terms energy: -58.864699
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -84.666850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.666850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.666850 (E_RNA)
where:
Base-Base interactions energy: -30.172
where: short stacking energy: -30.172
Base-Backbone interact. energy: -0.008
local terms energy: -54.487430
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: 1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -221.591338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.591338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.591338 (E_RNA)
where:
Base-Base interactions energy: -142.802
where: short stacking energy: -76.631
Base-Backbone interact. energy: -0.025
local terms energy: -78.764776
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -9.120
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: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -174.616841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.616841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.616841 (E_RNA)
where:
Base-Base interactions energy: -106.291
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.085
local terms energy: -68.240123
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -204.506289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.506289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.506289 (E_RNA)
where:
Base-Base interactions energy: -130.518
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.022
local terms energy: -73.966271
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -175.426386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.426386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.426386 (E_RNA)
where:
Base-Base interactions energy: -106.426
where: short stacking energy: -64.830
Base-Backbone interact. energy: -1.788
local terms energy: -67.212337
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -142.211875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.211875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.211875 (E_RNA)
where:
Base-Base interactions energy: -84.591
where: short stacking energy: -44.447
Base-Backbone interact. energy: -0.869
local terms energy: -56.751758
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -89.212325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.212325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.212325 (E_RNA)
where:
Base-Base interactions energy: -26.470
where: short stacking energy: -26.470
Base-Backbone interact. energy: 0.091
local terms energy: -62.833306
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -99.443141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.443141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.443141 (E_RNA)
where:
Base-Base interactions energy: -42.606
where: short stacking energy: -42.606
Base-Backbone interact. energy: -0.010
local terms energy: -56.827056
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -3.159
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: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -110.672092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.672092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.672092 (E_RNA)
where:
Base-Base interactions energy: -52.463
where: short stacking energy: -34.405
Base-Backbone interact. energy: 0.787
local terms energy: -58.995925
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -137.223873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.223873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.223873 (E_RNA)
where:
Base-Base interactions energy: -80.671
where: short stacking energy: -43.922
Base-Backbone interact. energy: -2.065
local terms energy: -54.487601
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -77.550520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.550520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.550520 (E_RNA)
where:
Base-Base interactions energy: -32.243
where: short stacking energy: -32.243
Base-Backbone interact. energy: -0.011
local terms energy: -45.296418
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -226.861390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.861390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.861390 (E_RNA)
where:
Base-Base interactions energy: -148.265
where: short stacking energy: -77.599
Base-Backbone interact. energy: -0.561
local terms energy: -78.035084
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -22.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -182.463264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.463264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.463264 (E_RNA)
where:
Base-Base interactions energy: -114.758
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.010
local terms energy: -67.694611
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -15.553
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: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -212.713027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.713027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.713027 (E_RNA)
where:
Base-Base interactions energy: -135.751
where: short stacking energy: -56.726
Base-Backbone interact. energy: -0.067
local terms energy: -76.895039
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -15.613
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: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -181.018645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.018645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.018645 (E_RNA)
where:
Base-Base interactions energy: -122.055
where: short stacking energy: -44.459
Base-Backbone interact. energy: -0.129
local terms energy: -58.834472
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -160.200515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.200515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.200515 (E_RNA)
where:
Base-Base interactions energy: -92.669
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.007
local terms energy: -67.524791
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -113.096027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.096027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.096027 (E_RNA)
where:
Base-Base interactions energy: -58.514
where: short stacking energy: -25.791
Base-Backbone interact. energy: -0.209
local terms energy: -54.372184
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -92.879162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.879162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.879162 (E_RNA)
where:
Base-Base interactions energy: -38.842
where: short stacking energy: -38.842
Base-Backbone interact. energy: 3.246
local terms energy: -57.283888
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -5.923
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: 417
Temperature: 1.250000
Total energy: -87.188683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.188683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.188683 (E_RNA)
where:
Base-Base interactions energy: -31.120
where: short stacking energy: -23.203
Base-Backbone interact. energy: -0.074
local terms energy: -55.994404
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -91.185376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.185376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.185376 (E_RNA)
where:
Base-Base interactions energy: -43.260
where: short stacking energy: -28.453
Base-Backbone interact. energy: -0.380
local terms energy: -47.545838
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: 1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -77.092738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.092738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.092738 (E_RNA)
where:
Base-Base interactions energy: -28.487
where: short stacking energy: -27.830
Base-Backbone interact. energy: 1.127
local terms energy: -49.732819
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -1.533
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: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -215.895182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.895182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.895182 (E_RNA)
where:
Base-Base interactions energy: -146.325
where: short stacking energy: -78.339
Base-Backbone interact. energy: -0.002
local terms energy: -69.567834
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -172.669198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.669198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.669198 (E_RNA)
where:
Base-Base interactions energy: -107.162
where: short stacking energy: -64.890
Base-Backbone interact. energy: 1.717
local terms energy: -67.223952
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -197.846016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.846016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.846016 (E_RNA)
where:
Base-Base interactions energy: -124.511
where: short stacking energy: -60.817
Base-Backbone interact. energy: -0.251
local terms energy: -73.084035
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -10.856
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: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -187.377745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.377745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.377745 (E_RNA)
where:
Base-Base interactions energy: -121.067
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.283
local terms energy: -66.027985
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -10.459
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: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -153.281796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.281796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.281796 (E_RNA)
where:
Base-Base interactions energy: -95.610
where: short stacking energy: -39.969
Base-Backbone interact. energy: -0.394
local terms energy: -57.278268
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -151.548845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.548845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.548845 (E_RNA)
where:
Base-Base interactions energy: -95.037
where: short stacking energy: -49.725
Base-Backbone interact. energy: -0.489
local terms energy: -56.022789
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -7.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -113.643017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.643017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.643017 (E_RNA)
where:
Base-Base interactions energy: -49.092
where: short stacking energy: -43.333
Base-Backbone interact. energy: -1.397
local terms energy: -63.153509
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -79.688363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.688363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.688363 (E_RNA)
where:
Base-Base interactions energy: -37.751
where: short stacking energy: -17.243
Base-Backbone interact. energy: 0.501
local terms energy: -42.438097
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: 8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -79.782040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.782040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.782040 (E_RNA)
where:
Base-Base interactions energy: -26.257
where: short stacking energy: -26.152
Base-Backbone interact. energy: 0.784
local terms energy: -54.308847
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -0.524
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: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -86.081088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.081088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.081088 (E_RNA)
where:
Base-Base interactions energy: -42.555
where: short stacking energy: -29.032
Base-Backbone interact. energy: 3.990
local terms energy: -47.516321
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -3.270
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: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -220.178575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.178575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.178575 (E_RNA)
where:
Base-Base interactions energy: -145.771
where: short stacking energy: -78.778
Base-Backbone interact. energy: -0.003
local terms energy: -74.405156
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -18.884
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: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -207.162605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.162605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.162605 (E_RNA)
where:
Base-Base interactions energy: -136.964
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.067
local terms energy: -70.132510
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -9.471
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: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -175.685754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.685754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.685754 (E_RNA)
where:
Base-Base interactions energy: -103.522
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.008
local terms energy: -72.155797
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -11.488
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: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -175.121742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.121742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.121742 (E_RNA)
where:
Base-Base interactions energy: -103.688
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.045
local terms energy: -71.389295
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -157.033368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.033368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.033368 (E_RNA)
where:
Base-Base interactions energy: -90.598
where: short stacking energy: -49.652
Base-Backbone interact. energy: -0.014
local terms energy: -66.421244
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -108.999218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.999218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.999218 (E_RNA)
where:
Base-Base interactions energy: -55.897
where: short stacking energy: -55.897
Base-Backbone interact. energy: -0.126
local terms energy: -52.976529
where:
bonds (distance) C4'-P energy: -5.755
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -125.556028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.556028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.556028 (E_RNA)
where:
Base-Base interactions energy: -78.481
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.208
local terms energy: -46.866778
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -6.972
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -6.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -85.667613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.667613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.667613 (E_RNA)
where:
Base-Base interactions energy: -36.950
where: short stacking energy: -35.005
Base-Backbone interact. energy: -0.059
local terms energy: -48.658617
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -2.822
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: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -92.149053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.149053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.149053 (E_RNA)
where:
Base-Base interactions energy: -45.964
where: short stacking energy: -20.759
Base-Backbone interact. energy: -0.367
local terms energy: -45.817491
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -81.974517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.974517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.974517 (E_RNA)
where:
Base-Base interactions energy: -40.004
where: short stacking energy: -35.388
Base-Backbone interact. energy: -0.071
local terms energy: -41.900447
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -7.142
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -221.198153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.198153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.198153 (E_RNA)
where:
Base-Base interactions energy: -146.373
where: short stacking energy: -72.268
Base-Backbone interact. energy: -0.003
local terms energy: -74.822486
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -201.735795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.735795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.735795 (E_RNA)
where:
Base-Base interactions energy: -132.680
where: short stacking energy: -66.760
Base-Backbone interact. energy: -0.055
local terms energy: -69.000731
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -171.439075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.439075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.439075 (E_RNA)
where:
Base-Base interactions energy: -107.326
where: short stacking energy: -56.956
Base-Backbone interact. energy: 0.278
local terms energy: -64.390610
where:
bonds (distance) C4'-P energy: -8.398
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -11.289
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: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -182.694731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.694731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.694731 (E_RNA)
where:
Base-Base interactions energy: -110.329
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.025
local terms energy: -72.340980
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -160.254352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.254352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.254352 (E_RNA)
where:
Base-Base interactions energy: -97.254
where: short stacking energy: -49.145
Base-Backbone interact. energy: -0.049
local terms energy: -62.951649
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -97.887174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.887174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.887174 (E_RNA)
where:
Base-Base interactions energy: -41.586
where: short stacking energy: -36.447
Base-Backbone interact. energy: -0.306
local terms energy: -55.994520
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -132.106227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.106227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.106227 (E_RNA)
where:
Base-Base interactions energy: -76.719
where: short stacking energy: -45.317
Base-Backbone interact. energy: -0.075
local terms energy: -55.312319
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -8.603
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: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -86.271784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.271784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.271784 (E_RNA)
where:
Base-Base interactions energy: -36.733
where: short stacking energy: -36.733
Base-Backbone interact. energy: -0.148
local terms energy: -49.391019
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -84.143389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.143389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.143389 (E_RNA)
where:
Base-Base interactions energy: -42.708
where: short stacking energy: -23.936
Base-Backbone interact. energy: -0.213
local terms energy: -41.222413
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -6.888
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -89.250818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.250818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.250818 (E_RNA)
where:
Base-Base interactions energy: -39.374
where: short stacking energy: -23.444
Base-Backbone interact. energy: -0.009
local terms energy: -49.867775
where:
bonds (distance) C4'-P energy: -6.074
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -220.642601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.642601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.642601 (E_RNA)
where:
Base-Base interactions energy: -138.280
where: short stacking energy: -76.081
Base-Backbone interact. energy: -0.007
local terms energy: -82.356392
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -24.668
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: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -211.183159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.183159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.183159 (E_RNA)
where:
Base-Base interactions energy: -128.083
where: short stacking energy: -68.830
Base-Backbone interact. energy: -0.001
local terms energy: -83.099440
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -178.990114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.990114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.990114 (E_RNA)
where:
Base-Base interactions energy: -110.549
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.033
local terms energy: -68.407779
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -12.786
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: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -183.464033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.464033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.464033 (E_RNA)
where:
Base-Base interactions energy: -114.047
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.309
local terms energy: -69.107663
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -13.514
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: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -178.184541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.184541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.184541 (E_RNA)
where:
Base-Base interactions energy: -107.716
where: short stacking energy: -63.894
Base-Backbone interact. energy: -0.253
local terms energy: -70.215320
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -15.238
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: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -147.755726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.755726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.755726 (E_RNA)
where:
Base-Base interactions energy: -81.223
where: short stacking energy: -40.261
Base-Backbone interact. energy: -0.016
local terms energy: -66.516877
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -100.794771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.794771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.794771 (E_RNA)
where:
Base-Base interactions energy: -40.793
where: short stacking energy: -42.193
Base-Backbone interact. energy: -0.002
local terms energy: -59.999445
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -86.125682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.125682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.125682 (E_RNA)
where:
Base-Base interactions energy: -29.707
where: short stacking energy: -29.707
Base-Backbone interact. energy: -0.185
local terms energy: -56.233125
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -75.456936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.456936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.456936 (E_RNA)
where:
Base-Base interactions energy: -43.751
where: short stacking energy: -30.758
Base-Backbone interact. energy: 5.548
local terms energy: -37.254397
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -74.106997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.106997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.106997 (E_RNA)
where:
Base-Base interactions energy: -25.695
where: short stacking energy: -23.439
Base-Backbone interact. energy: -0.121
local terms energy: -48.290780
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -8.812
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -218.889543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.889543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.889543 (E_RNA)
where:
Base-Base interactions energy: -142.050
where: short stacking energy: -71.610
Base-Backbone interact. energy: -0.034
local terms energy: -76.805340
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -21.015
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: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -206.774835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.774835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.774835 (E_RNA)
where:
Base-Base interactions energy: -139.476
where: short stacking energy: -58.280
Base-Backbone interact. energy: -0.402
local terms energy: -66.896624
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -179.323323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.323323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.323323 (E_RNA)
where:
Base-Base interactions energy: -103.553
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.098
local terms energy: -75.672299
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -149.487874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.487874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.487874 (E_RNA)
where:
Base-Base interactions energy: -85.975
where: short stacking energy: -42.959
Base-Backbone interact. energy: 0.205
local terms energy: -63.718141
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -157.410928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.410928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.410928 (E_RNA)
where:
Base-Base interactions energy: -93.783
where: short stacking energy: -54.541
Base-Backbone interact. energy: -0.509
local terms energy: -63.119321
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -6.315
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: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -173.573580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.573580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.573580 (E_RNA)
where:
Base-Base interactions energy: -105.496
where: short stacking energy: -58.266
Base-Backbone interact. energy: 0.443
local terms energy: -68.520505
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -90.581979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.581979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.581979 (E_RNA)
where:
Base-Base interactions energy: -33.509
where: short stacking energy: -32.652
Base-Backbone interact. energy: -0.071
local terms energy: -57.002492
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -90.330255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.330255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.330255 (E_RNA)
where:
Base-Base interactions energy: -35.008
where: short stacking energy: -30.225
Base-Backbone interact. energy: -0.052
local terms energy: -55.270071
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -10.516
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: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -80.542947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.542947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.542947 (E_RNA)
where:
Base-Base interactions energy: -22.061
where: short stacking energy: -22.061
Base-Backbone interact. energy: -0.150
local terms energy: -58.332433
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -73.567925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.567925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.567925 (E_RNA)
where:
Base-Base interactions energy: -23.513
where: short stacking energy: -23.024
Base-Backbone interact. energy: -0.008
local terms energy: -50.046836
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -220.447920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.447920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.447920 (E_RNA)
where:
Base-Base interactions energy: -138.446
where: short stacking energy: -71.501
Base-Backbone interact. energy: -0.041
local terms energy: -81.960879
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -200.688342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.688342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.688342 (E_RNA)
where:
Base-Base interactions energy: -135.149
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.522
local terms energy: -65.017156
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -187.004141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.004141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.004141 (E_RNA)
where:
Base-Base interactions energy: -116.716
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.027
local terms energy: -70.261558
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -173.337626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.337626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.337626 (E_RNA)
where:
Base-Base interactions energy: -104.894
where: short stacking energy: -56.134
Base-Backbone interact. energy: -0.516
local terms energy: -67.927533
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -157.460780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.460780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.460780 (E_RNA)
where:
Base-Base interactions energy: -92.063
where: short stacking energy: -51.104
Base-Backbone interact. energy: -0.061
local terms energy: -65.336801
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -152.236887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.236887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.236887 (E_RNA)
where:
Base-Base interactions energy: -95.210
where: short stacking energy: -49.058
Base-Backbone interact. energy: -0.502
local terms energy: -56.525325
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -6.040
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: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -97.427900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.427900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.427900 (E_RNA)
where:
Base-Base interactions energy: -50.481
where: short stacking energy: -40.630
Base-Backbone interact. energy: -0.272
local terms energy: -46.674315
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -3.877
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: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -86.467799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.467799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.467799 (E_RNA)
where:
Base-Base interactions energy: -37.146
where: short stacking energy: -18.977
Base-Backbone interact. energy: -0.452
local terms energy: -48.870330
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -96.070676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.070676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.070676 (E_RNA)
where:
Base-Base interactions energy: -39.477
where: short stacking energy: -36.824
Base-Backbone interact. energy: 0.562
local terms energy: -57.155440
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -9.128
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -10.375
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: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -81.884321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.884321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.884321 (E_RNA)
where:
Base-Base interactions energy: -30.396
where: short stacking energy: -29.783
Base-Backbone interact. energy: -0.645
local terms energy: -50.843369
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -3.351
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: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -212.328874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.328874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.328874 (E_RNA)
where:
Base-Base interactions energy: -134.998
where: short stacking energy: -58.110
Base-Backbone interact. energy: -0.848
local terms energy: -76.483047
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -9.467
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: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -208.529745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.529745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.529745 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.028
local terms energy: -71.898685
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -21.902
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: 424
Temperature: 1.000000
Total energy: -173.778230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.778230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.778230 (E_RNA)
where:
Base-Base interactions energy: -100.540
where: short stacking energy: -55.079
Base-Backbone interact. energy: -0.145
local terms energy: -73.093471
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -11.873
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: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -150.426079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.426079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.426079 (E_RNA)
where:
Base-Base interactions energy: -93.867
where: short stacking energy: -49.033
Base-Backbone interact. energy: -0.332
local terms energy: -56.226720
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -11.840
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: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -172.523227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.523227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.523227 (E_RNA)
where:
Base-Base interactions energy: -106.813
where: short stacking energy: -58.006
Base-Backbone interact. energy: 1.879
local terms energy: -67.589095
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -18.058
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: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -151.177342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.177342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.177342 (E_RNA)
where:
Base-Base interactions energy: -90.208
where: short stacking energy: -46.581
Base-Backbone interact. energy: -0.038
local terms energy: -60.931213
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -9.222
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: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -100.589621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.589621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.589621 (E_RNA)
where:
Base-Base interactions energy: -45.666
where: short stacking energy: -30.191
Base-Backbone interact. energy: -1.662
local terms energy: -53.261564
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -85.946453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.946453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.946453 (E_RNA)
where:
Base-Base interactions energy: -33.173
where: short stacking energy: -31.543
Base-Backbone interact. energy: -1.519
local terms energy: -51.254009
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -8.414
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: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -89.589790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.589790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.589790 (E_RNA)
where:
Base-Base interactions energy: -37.789
where: short stacking energy: -33.834
Base-Backbone interact. energy: -0.178
local terms energy: -51.622880
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -5.380
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: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -80.129519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.129519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.129519 (E_RNA)
where:
Base-Base interactions energy: -27.995
where: short stacking energy: -27.897
Base-Backbone interact. energy: -0.043
local terms energy: -52.091767
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -215.009537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.009537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.009537 (E_RNA)
where:
Base-Base interactions energy: -133.779
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.076
local terms energy: -81.154497
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -222.179747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.179747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.179747 (E_RNA)
where:
Base-Base interactions energy: -143.607
where: short stacking energy: -69.492
Base-Backbone interact. energy: -0.462
local terms energy: -78.111406
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -186.540085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.540085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.540085 (E_RNA)
where:
Base-Base interactions energy: -118.554
where: short stacking energy: -61.326
Base-Backbone interact. energy: -1.003
local terms energy: -66.982859
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -164.521069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.521069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.521069 (E_RNA)
where:
Base-Base interactions energy: -99.508
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.055
local terms energy: -64.958203
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -4.421
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: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -163.269707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.269707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.269707 (E_RNA)
where:
Base-Base interactions energy: -96.271
where: short stacking energy: -49.891
Base-Backbone interact. energy: 0.218
local terms energy: -67.216723
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -10.702
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: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -153.173497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.173497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.173497 (E_RNA)
where:
Base-Base interactions energy: -85.566
where: short stacking energy: -51.990
Base-Backbone interact. energy: -0.211
local terms energy: -67.395889
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -6.513
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: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -115.887754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.887754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.887754 (E_RNA)
where:
Base-Base interactions energy: -56.138
where: short stacking energy: -26.534
Base-Backbone interact. energy: -1.299
local terms energy: -58.450783
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -4.056
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: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -99.545291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.545291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.545291 (E_RNA)
where:
Base-Base interactions energy: -50.855
where: short stacking energy: -35.888
Base-Backbone interact. energy: -0.281
local terms energy: -48.408778
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -79.280554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.280554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.280554 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -28.390
Base-Backbone interact. energy: -0.195
local terms energy: -44.840177
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -1.341
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: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -80.691725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.691725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.691725 (E_RNA)
where:
Base-Base interactions energy: -27.072
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.133
local terms energy: -53.486247
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -228.464766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.464766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.464766 (E_RNA)
where:
Base-Base interactions energy: -144.336
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.819
local terms energy: -83.309396
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -218.213592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.213592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.213592 (E_RNA)
where:
Base-Base interactions energy: -142.297
where: short stacking energy: -72.174
Base-Backbone interact. energy: -0.357
local terms energy: -75.559452
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -166.175069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.175069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.175069 (E_RNA)
where:
Base-Base interactions energy: -93.312
where: short stacking energy: -61.426
Base-Backbone interact. energy: -0.028
local terms energy: -72.834816
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -182.697029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.697029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.697029 (E_RNA)
where:
Base-Base interactions energy: -111.106
where: short stacking energy: -57.409
Base-Backbone interact. energy: -1.099
local terms energy: -70.491286
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -157.343525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.343525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.343525 (E_RNA)
where:
Base-Base interactions energy: -89.196
where: short stacking energy: -54.236
Base-Backbone interact. energy: -0.012
local terms energy: -68.135559
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -164.079938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.079938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.079938 (E_RNA)
where:
Base-Base interactions energy: -100.649
where: short stacking energy: -54.261
Base-Backbone interact. energy: -0.009
local terms energy: -63.422065
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -9.778
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: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -102.113890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.113890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.113890 (E_RNA)
where:
Base-Base interactions energy: -43.013
where: short stacking energy: -35.551
Base-Backbone interact. energy: -0.086
local terms energy: -59.014341
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -6.210
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: 8, replica: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -107.482990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.482990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.482990 (E_RNA)
where:
Base-Base interactions energy: -48.403
where: short stacking energy: -31.707
Base-Backbone interact. energy: -0.424
local terms energy: -58.656437
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -83.294979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.294979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.294979 (E_RNA)
where:
Base-Base interactions energy: -36.818
where: short stacking energy: -34.692
Base-Backbone interact. energy: 1.678
local terms energy: -48.154836
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -10.596
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: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -80.225226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.225226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.225226 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -27.112
Base-Backbone interact. energy: -0.533
local terms energy: -47.733238
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -223.062402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.062402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.062402 (E_RNA)
where:
Base-Base interactions energy: -148.711
where: short stacking energy: -66.542
Base-Backbone interact. energy: -0.259
local terms energy: -74.092538
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -18.349
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: 427
Temperature: 0.950000
Total energy: -204.758653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.758653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.758653 (E_RNA)
where:
Base-Base interactions energy: -134.463
where: short stacking energy: -62.410
Base-Backbone interact. energy: -0.116
local terms energy: -70.179480
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -10.699
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: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -167.258488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.258488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.258488 (E_RNA)
where:
Base-Base interactions energy: -106.428
where: short stacking energy: -49.258
Base-Backbone interact. energy: -0.031
local terms energy: -60.799204
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -10.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -163.152600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.152600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.152600 (E_RNA)
where:
Base-Base interactions energy: -94.949
where: short stacking energy: -59.769
Base-Backbone interact. energy: -0.791
local terms energy: -67.413368
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -155.881662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.881662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.881662 (E_RNA)
where:
Base-Base interactions energy: -96.807
where: short stacking energy: -57.312
Base-Backbone interact. energy: -0.137
local terms energy: -58.937860
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -152.770696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.770696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.770696 (E_RNA)
where:
Base-Base interactions energy: -85.155
where: short stacking energy: -40.916
Base-Backbone interact. energy: -1.052
local terms energy: -66.563598
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -99.476267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.476267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.476267 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -43.817
Base-Backbone interact. energy: -0.039
local terms energy: -55.461845
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -90.298505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.298505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.298505 (E_RNA)
where:
Base-Base interactions energy: -39.205
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.119
local terms energy: -50.974205
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -82.510338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.510338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.510338 (E_RNA)
where:
Base-Base interactions energy: -29.101
where: short stacking energy: -27.251
Base-Backbone interact. energy: -0.297
local terms energy: -53.112315
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -84.789745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789745 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -16.471
Base-Backbone interact. energy: -1.170
local terms energy: -50.832817
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: 4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -213.098060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.098060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.098060 (E_RNA)
where:
Base-Base interactions energy: -137.540
where: short stacking energy: -64.226
Base-Backbone interact. energy: -0.095
local terms energy: -75.462624
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -210.551434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.551434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.551434 (E_RNA)
where:
Base-Base interactions energy: -141.545
where: short stacking energy: -64.664
Base-Backbone interact. energy: -0.016
local terms energy: -68.990654
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -175.162170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.162170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.162170 (E_RNA)
where:
Base-Base interactions energy: -108.085
where: short stacking energy: -49.273
Base-Backbone interact. energy: -0.078
local terms energy: -66.999172
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -157.726254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.726254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.726254 (E_RNA)
where:
Base-Base interactions energy: -94.317
where: short stacking energy: -46.108
Base-Backbone interact. energy: -0.602
local terms energy: -62.807316
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -172.492847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.492847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.492847 (E_RNA)
where:
Base-Base interactions energy: -106.265
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.719
local terms energy: -65.508315
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -173.336445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.336445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.336445 (E_RNA)
where:
Base-Base interactions energy: -100.651
where: short stacking energy: -53.146
Base-Backbone interact. energy: -0.045
local terms energy: -72.640995
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -106.894908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.894908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.894908 (E_RNA)
where:
Base-Base interactions energy: -53.434
where: short stacking energy: -40.746
Base-Backbone interact. energy: -0.124
local terms energy: -53.336575
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -6.471
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: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -83.082882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.082882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.082882 (E_RNA)
where:
Base-Base interactions energy: -37.199
where: short stacking energy: -34.657
Base-Backbone interact. energy: 0.019
local terms energy: -45.902892
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -79.484029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.484029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.484029 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.023
local terms energy: -49.535560
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -71.783290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.783290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.783290 (E_RNA)
where:
Base-Base interactions energy: -21.612
where: short stacking energy: -21.612
Base-Backbone interact. energy: -0.299
local terms energy: -49.872673
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -9.288
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -4.495
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: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -212.917829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.917829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.917829 (E_RNA)
where:
Base-Base interactions energy: -133.427
where: short stacking energy: -63.952
Base-Backbone interact. energy: -0.145
local terms energy: -79.346349
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -197.809961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.809961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.809961 (E_RNA)
where:
Base-Base interactions energy: -123.681
where: short stacking energy: -67.673
Base-Backbone interact. energy: -0.184
local terms energy: -73.945229
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -12.555
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: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -201.476588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.476588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.476588 (E_RNA)
where:
Base-Base interactions energy: -126.985
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.017
local terms energy: -74.474108
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -11.271
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: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -175.329962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.329962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.329962 (E_RNA)
where:
Base-Base interactions energy: -108.874
where: short stacking energy: -53.239
Base-Backbone interact. energy: -0.262
local terms energy: -66.194023
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -156.894528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.894528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.894528 (E_RNA)
where:
Base-Base interactions energy: -89.730
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.342
local terms energy: -66.822764
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -155.025577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.025577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.025577 (E_RNA)
where:
Base-Base interactions energy: -93.571
where: short stacking energy: -46.210
Base-Backbone interact. energy: -0.276
local terms energy: -61.178726
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -11.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -94.729942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.729942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.729942 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -37.125
Base-Backbone interact. energy: -0.050
local terms energy: -55.458209
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -96.870757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.870757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.870757 (E_RNA)
where:
Base-Base interactions energy: -44.049
where: short stacking energy: -36.360
Base-Backbone interact. energy: -0.247
local terms energy: -52.574688
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -89.456056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.456056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.456056 (E_RNA)
where:
Base-Base interactions energy: -42.266
where: short stacking energy: -38.118
Base-Backbone interact. energy: -0.093
local terms energy: -47.097393
where:
bonds (distance) C4'-P energy: -7.297
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -5.106
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: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -74.162788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.162788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.162788 (E_RNA)
where:
Base-Base interactions energy: -20.992
where: short stacking energy: -20.992
Base-Backbone interact. energy: -0.267
local terms energy: -52.903113
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -216.909343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.909343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.909343 (E_RNA)
where:
Base-Base interactions energy: -138.804
where: short stacking energy: -75.578
Base-Backbone interact. energy: -0.001
local terms energy: -78.104207
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -21.632
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: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -198.300843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.300843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.300843 (E_RNA)
where:
Base-Base interactions energy: -122.898
where: short stacking energy: -69.707
Base-Backbone interact. energy: -2.827
local terms energy: -72.575519
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -208.030956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.030956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.030956 (E_RNA)
where:
Base-Base interactions energy: -133.993
where: short stacking energy: -73.853
Base-Backbone interact. energy: -0.009
local terms energy: -74.029456
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -177.676318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.676318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.676318 (E_RNA)
where:
Base-Base interactions energy: -108.948
where: short stacking energy: -58.591
Base-Backbone interact. energy: -0.261
local terms energy: -68.467757
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -6.075
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: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -148.916286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.916286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.916286 (E_RNA)
where:
Base-Base interactions energy: -85.935
where: short stacking energy: -48.700
Base-Backbone interact. energy: -0.672
local terms energy: -62.309210
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -11.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -145.460627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.460627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.460627 (E_RNA)
where:
Base-Base interactions energy: -91.751
where: short stacking energy: -36.014
Base-Backbone interact. energy: -0.658
local terms energy: -53.051211
where:
bonds (distance) C4'-P energy: -7.429
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -10.003
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: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -97.439438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.439438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.439438 (E_RNA)
where:
Base-Base interactions energy: -47.175
where: short stacking energy: -41.397
Base-Backbone interact. energy: -0.035
local terms energy: -50.229319
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -8.456
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: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -86.427794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.427794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.427794 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -32.803
Base-Backbone interact. energy: -0.184
local terms energy: -53.384650
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -2.858
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: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -89.080387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.080387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.080387 (E_RNA)
where:
Base-Base interactions energy: -38.634
where: short stacking energy: -22.097
Base-Backbone interact. energy: -1.105
local terms energy: -49.341335
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -83.440134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.440134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.440134 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -33.386
Base-Backbone interact. energy: -0.185
local terms energy: -49.869107
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -212.623821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.623821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.623821 (E_RNA)
where:
Base-Base interactions energy: -138.465
where: short stacking energy: -70.406
Base-Backbone interact. energy: -0.015
local terms energy: -74.143284
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -9.002
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: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -203.819601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.819601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.819601 (E_RNA)
where:
Base-Base interactions energy: -127.886
where: short stacking energy: -73.922
Base-Backbone interact. energy: 0.156
local terms energy: -76.088740
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -12.399
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: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -195.630461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.630461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.630461 (E_RNA)
where:
Base-Base interactions energy: -122.702
where: short stacking energy: -73.854
Base-Backbone interact. energy: -0.002
local terms energy: -72.927061
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -149.041296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.041296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.041296 (E_RNA)
where:
Base-Base interactions energy: -85.311
where: short stacking energy: -37.550
Base-Backbone interact. energy: -0.103
local terms energy: -63.627604
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -10.057
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: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -154.705573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.705573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.705573 (E_RNA)
where:
Base-Base interactions energy: -89.103
where: short stacking energy: -47.019
Base-Backbone interact. energy: -0.002
local terms energy: -65.600080
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -152.918106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.918106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.918106 (E_RNA)
where:
Base-Base interactions energy: -87.062
where: short stacking energy: -35.125
Base-Backbone interact. energy: -0.116
local terms energy: -65.740504
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -9.634
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: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -83.983304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.983304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.983304 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -29.829
Base-Backbone interact. energy: 0.934
local terms energy: -55.088581
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -5.575
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: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -93.616079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.616079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.616079 (E_RNA)
where:
Base-Base interactions energy: -42.001
where: short stacking energy: -37.139
Base-Backbone interact. energy: -0.086
local terms energy: -51.529125
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -85.646411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.646411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.646411 (E_RNA)
where:
Base-Base interactions energy: -40.441
where: short stacking energy: -16.560
Base-Backbone interact. energy: 1.266
local terms energy: -46.471688
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -80.401418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.401418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.401418 (E_RNA)
where:
Base-Base interactions energy: -28.193
where: short stacking energy: -27.261
Base-Backbone interact. energy: -0.092
local terms energy: -52.116828
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -214.594299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.594299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.594299 (E_RNA)
where:
Base-Base interactions energy: -131.942
where: short stacking energy: -66.184
Base-Backbone interact. energy: -0.019
local terms energy: -82.634054
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -209.857759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.857759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.857759 (E_RNA)
where:
Base-Base interactions energy: -135.845
where: short stacking energy: -71.730
Base-Backbone interact. energy: -1.382
local terms energy: -72.630846
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -183.241662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.241662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.241662 (E_RNA)
where:
Base-Base interactions energy: -115.646
where: short stacking energy: -60.275
Base-Backbone interact. energy: -0.426
local terms energy: -67.169416
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -6.784
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: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -160.664649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.664649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.664649 (E_RNA)
where:
Base-Base interactions energy: -89.880
where: short stacking energy: -56.249
Base-Backbone interact. energy: -0.429
local terms energy: -70.355505
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -170.032136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.032136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.032136 (E_RNA)
where:
Base-Base interactions energy: -105.405
where: short stacking energy: -56.557
Base-Backbone interact. energy: -0.290
local terms energy: -64.337281
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -153.141527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.141527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.141527 (E_RNA)
where:
Base-Base interactions energy: -78.347
where: short stacking energy: -51.438
Base-Backbone interact. energy: -0.011
local terms energy: -74.783553
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -95.044121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.044121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.044121 (E_RNA)
where:
Base-Base interactions energy: -40.469
where: short stacking energy: -40.467
Base-Backbone interact. energy: -0.122
local terms energy: -54.453196
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -101.293589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.293589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.293589 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -24.548
Base-Backbone interact. energy: 0.286
local terms energy: -61.596066
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -8.241
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: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -89.160584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.160584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.160584 (E_RNA)
where:
Base-Base interactions energy: -45.905
where: short stacking energy: -36.390
Base-Backbone interact. energy: -0.316
local terms energy: -42.940402
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -89.898501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.898501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.898501 (E_RNA)
where:
Base-Base interactions energy: -33.537
where: short stacking energy: -33.537
Base-Backbone interact. energy: -0.089
local terms energy: -56.272134
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -9.324
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: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -206.534755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.534755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.534755 (E_RNA)
where:
Base-Base interactions energy: -141.311
where: short stacking energy: -71.127
Base-Backbone interact. energy: -0.469
local terms energy: -64.755292
where:
bonds (distance) C4'-P energy: -7.677
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -8.382
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: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -203.763570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.763570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.763570 (E_RNA)
where:
Base-Base interactions energy: -122.655
where: short stacking energy: -71.339
Base-Backbone interact. energy: -1.414
local terms energy: -79.694202
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -194.435231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.435231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.435231 (E_RNA)
where:
Base-Base interactions energy: -117.069
where: short stacking energy: -62.108
Base-Backbone interact. energy: -1.137
local terms energy: -76.229132
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -159.620546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.620546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.620546 (E_RNA)
where:
Base-Base interactions energy: -94.500
where: short stacking energy: -44.584
Base-Backbone interact. energy: 0.108
local terms energy: -65.228801
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -146.541469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.541469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.541469 (E_RNA)
where:
Base-Base interactions energy: -87.429
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.332
local terms energy: -58.780172
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -9.184
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -148.176314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.176314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.176314 (E_RNA)
where:
Base-Base interactions energy: -84.881
where: short stacking energy: -31.863
Base-Backbone interact. energy: -0.168
local terms energy: -63.127041
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -5.138
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: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -89.110949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.110949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.110949 (E_RNA)
where:
Base-Base interactions energy: -37.195
where: short stacking energy: -31.342
Base-Backbone interact. energy: -0.278
local terms energy: -51.638554
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -89.630937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.630937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.630937 (E_RNA)
where:
Base-Base interactions energy: -39.390
where: short stacking energy: -34.784
Base-Backbone interact. energy: -0.274
local terms energy: -49.966680
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -76.245068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.245068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.245068 (E_RNA)
where:
Base-Base interactions energy: -25.936
where: short stacking energy: -23.437
Base-Backbone interact. energy: -1.067
local terms energy: -49.241901
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: 0.912
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: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -72.766829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.766829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.766829 (E_RNA)
where:
Base-Base interactions energy: -22.993
where: short stacking energy: -22.565
Base-Backbone interact. energy: -0.063
local terms energy: -49.710852
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -7.040
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: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -216.108115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.108115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.108115 (E_RNA)
where:
Base-Base interactions energy: -135.320
where: short stacking energy: -68.710
Base-Backbone interact. energy: -0.003
local terms energy: -80.785399
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -19.698
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: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -212.120689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.120689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.120689 (E_RNA)
where:
Base-Base interactions energy: -132.636
where: short stacking energy: -73.937
Base-Backbone interact. energy: -0.492
local terms energy: -78.992344
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -167.321760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.321760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.321760 (E_RNA)
where:
Base-Base interactions energy: -96.452
where: short stacking energy: -57.017
Base-Backbone interact. energy: -0.937
local terms energy: -69.932267
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -171.225795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.225795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.225795 (E_RNA)
where:
Base-Base interactions energy: -100.964
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.028
local terms energy: -70.233760
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -161.677960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.677960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.677960 (E_RNA)
where:
Base-Base interactions energy: -98.324
where: short stacking energy: -56.091
Base-Backbone interact. energy: -0.036
local terms energy: -63.317866
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -144.541655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.541655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.541655 (E_RNA)
where:
Base-Base interactions energy: -85.762
where: short stacking energy: -49.671
Base-Backbone interact. energy: -0.016
local terms energy: -58.763362
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -98.549535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.549535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.549535 (E_RNA)
where:
Base-Base interactions energy: -45.968
where: short stacking energy: -45.968
Base-Backbone interact. energy: -0.034
local terms energy: -52.547836
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -129.675884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.675884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.675884 (E_RNA)
where:
Base-Base interactions energy: -78.733
where: short stacking energy: -42.939
Base-Backbone interact. energy: -0.476
local terms energy: -50.467231
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -83.146102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.146102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.146102 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.211
local terms energy: -48.755235
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -7.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -88.520068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.520068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.520068 (E_RNA)
where:
Base-Base interactions energy: -47.346
where: short stacking energy: -26.424
Base-Backbone interact. energy: -0.061
local terms energy: -41.113545
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -4.957
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -5.582
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: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -217.601389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.601389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.601389 (E_RNA)
where:
Base-Base interactions energy: -134.033
where: short stacking energy: -72.619
Base-Backbone interact. energy: -0.000
local terms energy: -83.568247
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -182.487734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.487734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.487734 (E_RNA)
where:
Base-Base interactions energy: -123.012
where: short stacking energy: -59.445
Base-Backbone interact. energy: 1.667
local terms energy: -61.142926
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -197.078273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.078273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.078273 (E_RNA)
where:
Base-Base interactions energy: -123.737
where: short stacking energy: -63.369
Base-Backbone interact. energy: -0.080
local terms energy: -73.261142
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -17.626
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: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -171.244946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.244946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.244946 (E_RNA)
where:
Base-Base interactions energy: -102.771
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.025
local terms energy: -68.448304
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.889
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: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -160.529765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.529765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.529765 (E_RNA)
where:
Base-Base interactions energy: -103.495
where: short stacking energy: -58.991
Base-Backbone interact. energy: -0.162
local terms energy: -56.872862
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -8.731
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -11.870
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: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -142.406295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.406295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.406295 (E_RNA)
where:
Base-Base interactions energy: -98.893
where: short stacking energy: -43.970
Base-Backbone interact. energy: 0.073
local terms energy: -43.586418
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -97.586956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.586956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.586956 (E_RNA)
where:
Base-Base interactions energy: -40.351
where: short stacking energy: -39.475
Base-Backbone interact. energy: -0.020
local terms energy: -57.215932
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -83.156863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.156863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.156863 (E_RNA)
where:
Base-Base interactions energy: -34.603
where: short stacking energy: -32.930
Base-Backbone interact. energy: -0.011
local terms energy: -48.542588
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -144.310651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.310651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.310651 (E_RNA)
where:
Base-Base interactions energy: -95.730
where: short stacking energy: -46.763
Base-Backbone interact. energy: -0.040
local terms energy: -48.541046
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -6.109
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -9.689
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: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -79.982136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.982136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.982136 (E_RNA)
where:
Base-Base interactions energy: -33.210
where: short stacking energy: -33.191
Base-Backbone interact. energy: -0.333
local terms energy: -46.438995
where:
bonds (distance) C4'-P energy: -6.555
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -192.438520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.438520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.438520 (E_RNA)
where:
Base-Base interactions energy: -131.369
where: short stacking energy: -72.320
Base-Backbone interact. energy: -0.045
local terms energy: -61.023845
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -9.756
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: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -214.149430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.149430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.149430 (E_RNA)
where:
Base-Base interactions energy: -138.951
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.525
local terms energy: -74.672610
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -17.749
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: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -178.612415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.612415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.612415 (E_RNA)
where:
Base-Base interactions energy: -105.210
where: short stacking energy: -49.039
Base-Backbone interact. energy: -0.141
local terms energy: -73.260722
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -160.273587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.273587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.273587 (E_RNA)
where:
Base-Base interactions energy: -90.980
where: short stacking energy: -50.953
Base-Backbone interact. energy: -0.408
local terms energy: -68.885142
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -16.320
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: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -146.749551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.749551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.749551 (E_RNA)
where:
Base-Base interactions energy: -87.261
where: short stacking energy: -41.571
Base-Backbone interact. energy: -0.064
local terms energy: -59.424442
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -11.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -171.299445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.299445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.299445 (E_RNA)
where:
Base-Base interactions energy: -93.829
where: short stacking energy: -55.803
Base-Backbone interact. energy: -0.042
local terms energy: -77.428310
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -10.481
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: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -100.627794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.627794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.627794 (E_RNA)
where:
Base-Base interactions energy: -39.417
where: short stacking energy: -34.359
Base-Backbone interact. energy: -0.091
local terms energy: -61.119514
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -103.713226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.713226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.713226 (E_RNA)
where:
Base-Base interactions energy: -55.133
where: short stacking energy: -29.876
Base-Backbone interact. energy: -0.186
local terms energy: -48.393674
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -6.760
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: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -87.792211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.792211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.792211 (E_RNA)
where:
Base-Base interactions energy: -43.090
where: short stacking energy: -17.109
Base-Backbone interact. energy: -0.054
local terms energy: -44.648320
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: 0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -83.805560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.805560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.805560 (E_RNA)
where:
Base-Base interactions energy: -45.466
where: short stacking energy: -30.640
Base-Backbone interact. energy: -0.919
local terms energy: -37.420396
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -7.835
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -204.799388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.799388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.799388 (E_RNA)
where:
Base-Base interactions energy: -125.360
where: short stacking energy: -62.748
Base-Backbone interact. energy: -3.126
local terms energy: -76.314069
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -207.577821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.577821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.577821 (E_RNA)
where:
Base-Base interactions energy: -128.522
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.085
local terms energy: -78.970421
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -162.184589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.184589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.184589 (E_RNA)
where:
Base-Base interactions energy: -93.564
where: short stacking energy: -56.429
Base-Backbone interact. energy: -0.601
local terms energy: -68.019979
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -165.998315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.998315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.998315 (E_RNA)
where:
Base-Base interactions energy: -99.246
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.599
local terms energy: -66.153383
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -158.376968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.376968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.376968 (E_RNA)
where:
Base-Base interactions energy: -92.288
where: short stacking energy: -52.353
Base-Backbone interact. energy: -0.234
local terms energy: -65.855614
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.248
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: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -164.194717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.194717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.194717 (E_RNA)
where:
Base-Base interactions energy: -91.437
where: short stacking energy: -50.780
Base-Backbone interact. energy: -0.075
local terms energy: -72.682140
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -12.577
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: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -98.907636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.907636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.907636 (E_RNA)
where:
Base-Base interactions energy: -44.271
where: short stacking energy: -44.271
Base-Backbone interact. energy: -0.238
local terms energy: -54.398330
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -9.268
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: 437
Temperature: 1.250000
Total energy: -102.409562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.409562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.409562 (E_RNA)
where:
Base-Base interactions energy: -44.715
where: short stacking energy: -28.852
Base-Backbone interact. energy: -0.206
local terms energy: -57.489183
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -85.540170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.540170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.540170 (E_RNA)
where:
Base-Base interactions energy: -35.281
where: short stacking energy: -35.281
Base-Backbone interact. energy: 0.153
local terms energy: -50.412210
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -75.856066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.856066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.856066 (E_RNA)
where:
Base-Base interactions energy: -25.843
where: short stacking energy: -24.531
Base-Backbone interact. energy: 1.516
local terms energy: -51.529733
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -214.413201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.413201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.413201 (E_RNA)
where:
Base-Base interactions energy: -132.176
where: short stacking energy: -75.631
Base-Backbone interact. energy: -0.330
local terms energy: -81.907507
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -13.500
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: 438
Temperature: 0.950000
Total energy: -201.952362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.952362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.952362 (E_RNA)
where:
Base-Base interactions energy: -123.545
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.935
local terms energy: -77.472235
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -172.135492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.135492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.135492 (E_RNA)
where:
Base-Base interactions energy: -111.601
where: short stacking energy: -60.185
Base-Backbone interact. energy: 1.388
local terms energy: -61.922553
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -170.670477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.670477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.670477 (E_RNA)
where:
Base-Base interactions energy: -106.852
where: short stacking energy: -54.864
Base-Backbone interact. energy: 0.601
local terms energy: -64.419398
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -11.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -155.567941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.567941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.567941 (E_RNA)
where:
Base-Base interactions energy: -91.749
where: short stacking energy: -51.181
Base-Backbone interact. energy: -1.142
local terms energy: -62.677291
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -149.920784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.920784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.920784 (E_RNA)
where:
Base-Base interactions energy: -84.939
where: short stacking energy: -49.802
Base-Backbone interact. energy: -0.672
local terms energy: -64.309566
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -10.455
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: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -102.190191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.190191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.190191 (E_RNA)
where:
Base-Base interactions energy: -39.085
where: short stacking energy: -36.588
Base-Backbone interact. energy: -0.077
local terms energy: -63.028127
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -85.063809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.063809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.063809 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -27.451
Base-Backbone interact. energy: -0.916
local terms energy: -51.217707
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -81.582876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.582876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.582876 (E_RNA)
where:
Base-Base interactions energy: -31.472
where: short stacking energy: -24.069
Base-Backbone interact. energy: -0.246
local terms energy: -49.864919
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -11.603
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: 10, replica: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -76.779562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.779562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.779562 (E_RNA)
where:
Base-Base interactions energy: -35.535
where: short stacking energy: -20.445
Base-Backbone interact. energy: -0.204
local terms energy: -41.040898
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -10.064
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -3.581
tors. eta vs tors. theta energy: 1.595
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: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -209.242554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.242554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.242554 (E_RNA)
where:
Base-Base interactions energy: -131.108
where: short stacking energy: -65.261
Base-Backbone interact. energy: -0.014
local terms energy: -78.120647
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -188.140834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.140834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.140834 (E_RNA)
where:
Base-Base interactions energy: -120.176
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.176
local terms energy: -67.788987
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -185.205800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.205800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.205800 (E_RNA)
where:
Base-Base interactions energy: -115.669
where: short stacking energy: -61.793
Base-Backbone interact. energy: -1.472
local terms energy: -68.065211
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -162.307245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.307245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.307245 (E_RNA)
where:
Base-Base interactions energy: -99.356
where: short stacking energy: -47.987
Base-Backbone interact. energy: -0.163
local terms energy: -62.787956
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -174.048242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.048242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.048242 (E_RNA)
where:
Base-Base interactions energy: -102.694
where: short stacking energy: -52.296
Base-Backbone interact. energy: -0.114
local terms energy: -71.240524
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -15.018
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: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -147.460103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.460103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.460103 (E_RNA)
where:
Base-Base interactions energy: -85.257
where: short stacking energy: -45.694
Base-Backbone interact. energy: -0.915
local terms energy: -61.288126
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -98.279675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.279675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.279675 (E_RNA)
where:
Base-Base interactions energy: -49.673
where: short stacking energy: -26.522
Base-Backbone interact. energy: -0.397
local terms energy: -48.209481
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -79.266412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.266412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.266412 (E_RNA)
where:
Base-Base interactions energy: -26.667
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.215
local terms energy: -52.384944
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -8.237
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: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -88.286944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.286944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.286944 (E_RNA)
where:
Base-Base interactions energy: -30.930
where: short stacking energy: -30.801
Base-Backbone interact. energy: -1.608
local terms energy: -55.749393
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -76.379565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.379565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.379565 (E_RNA)
where:
Base-Base interactions energy: -32.742
where: short stacking energy: -32.155
Base-Backbone interact. energy: -0.070
local terms energy: -43.567124
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -211.303919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.303919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.303919 (E_RNA)
where:
Base-Base interactions energy: -134.253
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.402
local terms energy: -76.649494
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -8.513
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: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -188.098044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.098044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.098044 (E_RNA)
where:
Base-Base interactions energy: -118.267
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.128
local terms energy: -69.703436
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -196.256989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.256989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.256989 (E_RNA)
where:
Base-Base interactions energy: -124.565
where: short stacking energy: -64.694
Base-Backbone interact. energy: -0.127
local terms energy: -71.565361
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -189.153437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.153437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.153437 (E_RNA)
where:
Base-Base interactions energy: -112.287
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.939
local terms energy: -75.927875
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -154.862679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.862679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.862679 (E_RNA)
where:
Base-Base interactions energy: -90.938
where: short stacking energy: -52.584
Base-Backbone interact. energy: -0.318
local terms energy: -63.606034
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -157.974732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.974732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.974732 (E_RNA)
where:
Base-Base interactions energy: -89.728
where: short stacking energy: -41.784
Base-Backbone interact. energy: -0.163
local terms energy: -68.083109
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -92.330888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.330888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.330888 (E_RNA)
where:
Base-Base interactions energy: -50.053
where: short stacking energy: -39.204
Base-Backbone interact. energy: -0.096
local terms energy: -42.182027
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -89.572858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.572858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.572858 (E_RNA)
where:
Base-Base interactions energy: -44.910
where: short stacking energy: -15.812
Base-Backbone interact. energy: -0.563
local terms energy: -44.099648
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -79.726872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.726872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.726872 (E_RNA)
where:
Base-Base interactions energy: -33.137
where: short stacking energy: -26.308
Base-Backbone interact. energy: 0.648
local terms energy: -47.238522
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -85.414509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.414509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.414509 (E_RNA)
where:
Base-Base interactions energy: -44.360
where: short stacking energy: -20.845
Base-Backbone interact. energy: -0.085
local terms energy: -40.969434
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -5.487
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -1.404
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: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -215.161974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.161974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.161974 (E_RNA)
where:
Base-Base interactions energy: -133.403
where: short stacking energy: -71.118
Base-Backbone interact. energy: -0.022
local terms energy: -81.736628
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -21.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -186.936311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.936311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.936311 (E_RNA)
where:
Base-Base interactions energy: -115.358
where: short stacking energy: -52.390
Base-Backbone interact. energy: -0.654
local terms energy: -70.923983
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -176.837442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.837442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.837442 (E_RNA)
where:
Base-Base interactions energy: -106.876
where: short stacking energy: -66.742
Base-Backbone interact. energy: -0.040
local terms energy: -69.921891
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.552
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: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -148.204006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.204006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.204006 (E_RNA)
where:
Base-Base interactions energy: -84.353
where: short stacking energy: -54.403
Base-Backbone interact. energy: -0.028
local terms energy: -63.823418
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -160.259691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.259691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.259691 (E_RNA)
where:
Base-Base interactions energy: -92.989
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.054
local terms energy: -67.216122
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -16.704
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: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -99.538252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.538252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.538252 (E_RNA)
where:
Base-Base interactions energy: -40.256
where: short stacking energy: -40.256
Base-Backbone interact. energy: -0.026
local terms energy: -59.255972
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -9.213
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: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -136.996000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.996000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.996000 (E_RNA)
where:
Base-Base interactions energy: -72.655
where: short stacking energy: -43.512
Base-Backbone interact. energy: -0.926
local terms energy: -63.415000
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -100.931477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.931477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.931477 (E_RNA)
where:
Base-Base interactions energy: -46.032
where: short stacking energy: -30.084
Base-Backbone interact. energy: -0.326
local terms energy: -54.573819
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -7.724
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -88.601457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.601457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.601457 (E_RNA)
where:
Base-Base interactions energy: -32.179
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.187
local terms energy: -56.235369
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -7.439
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: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -71.565657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.565657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.565657 (E_RNA)
where:
Base-Base interactions energy: -24.128
where: short stacking energy: -20.881
Base-Backbone interact. energy: 0.841
local terms energy: -48.278321
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -10.542
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: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -211.244197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.244197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.244197 (E_RNA)
where:
Base-Base interactions energy: -133.641
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.009
local terms energy: -77.594613
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -20.049
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: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -198.159556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.159556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.159556 (E_RNA)
where:
Base-Base interactions energy: -122.254
where: short stacking energy: -72.357
Base-Backbone interact. energy: -1.120
local terms energy: -74.785851
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -168.338797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.338797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.338797 (E_RNA)
where:
Base-Base interactions energy: -105.428
where: short stacking energy: -43.874
Base-Backbone interact. energy: -0.328
local terms energy: -62.583164
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -161.526102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.526102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.526102 (E_RNA)
where:
Base-Base interactions energy: -93.738
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.526
local terms energy: -67.262484
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -11.994
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: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -155.576559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.576559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.576559 (E_RNA)
where:
Base-Base interactions energy: -88.223
where: short stacking energy: -52.215
Base-Backbone interact. energy: -0.293
local terms energy: -67.060918
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -98.629796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.629796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.629796 (E_RNA)
where:
Base-Base interactions energy: -42.356
where: short stacking energy: -39.566
Base-Backbone interact. energy: -0.084
local terms energy: -56.189433
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -8.404
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -8.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -140.547511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.547511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.547511 (E_RNA)
where:
Base-Base interactions energy: -89.986
where: short stacking energy: -42.380
Base-Backbone interact. energy: 1.331
local terms energy: -51.891857
where:
bonds (distance) C4'-P energy: -7.280
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -9.036
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: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -83.798964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.798964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.798964 (E_RNA)
where:
Base-Base interactions energy: -30.616
where: short stacking energy: -30.616
Base-Backbone interact. energy: -0.063
local terms energy: -53.119464
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -83.148469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.148469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.148469 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.482
local terms energy: -51.681602
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -78.486729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.486729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.486729 (E_RNA)
where:
Base-Base interactions energy: -23.147
where: short stacking energy: -23.247
Base-Backbone interact. energy: -0.115
local terms energy: -55.224641
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -218.204928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.204928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.204928 (E_RNA)
where:
Base-Base interactions energy: -141.748
where: short stacking energy: -71.212
Base-Backbone interact. energy: -0.061
local terms energy: -76.396180
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -198.443905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.443905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.443905 (E_RNA)
where:
Base-Base interactions energy: -124.118
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.001
local terms energy: -74.324447
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -175.256787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.256787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.256787 (E_RNA)
where:
Base-Base interactions energy: -110.743
where: short stacking energy: -46.206
Base-Backbone interact. energy: -0.165
local terms energy: -64.348498
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -164.280800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.280800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.280800 (E_RNA)
where:
Base-Base interactions energy: -99.508
where: short stacking energy: -49.004
Base-Backbone interact. energy: -0.041
local terms energy: -64.731381
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -153.737174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.737174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.737174 (E_RNA)
where:
Base-Base interactions energy: -96.282
where: short stacking energy: -49.558
Base-Backbone interact. energy: -0.411
local terms energy: -57.044359
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -7.376
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: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -133.562663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.562663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.562663 (E_RNA)
where:
Base-Base interactions energy: -75.364
where: short stacking energy: -43.634
Base-Backbone interact. energy: 0.646
local terms energy: -58.844172
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -7.565
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -10.636
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: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -94.498418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.498418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.498418 (E_RNA)
where:
Base-Base interactions energy: -47.383
where: short stacking energy: -33.070
Base-Backbone interact. energy: 2.015
local terms energy: -49.130201
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -8.669
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: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -91.390719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.390719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.390719 (E_RNA)
where:
Base-Base interactions energy: -40.831
where: short stacking energy: -26.168
Base-Backbone interact. energy: 0.938
local terms energy: -51.497982
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: 0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -80.484196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.484196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.484196 (E_RNA)
where:
Base-Base interactions energy: -26.107
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.293
local terms energy: -54.084660
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -83.797750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.797750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.797750 (E_RNA)
where:
Base-Base interactions energy: -31.708
where: short stacking energy: -24.381
Base-Backbone interact. energy: -0.170
local terms energy: -51.920519
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -4.667
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: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -212.023360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.023360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.023360 (E_RNA)
where:
Base-Base interactions energy: -133.650
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.077
local terms energy: -78.297064
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -22.016
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: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -189.665691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.665691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.665691 (E_RNA)
where:
Base-Base interactions energy: -121.057
where: short stacking energy: -60.033
Base-Backbone interact. energy: -0.186
local terms energy: -68.422344
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -174.800081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.800081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.800081 (E_RNA)
where:
Base-Base interactions energy: -118.617
where: short stacking energy: -45.123
Base-Backbone interact. energy: -0.626
local terms energy: -55.557108
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -174.074489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.074489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.074489 (E_RNA)
where:
Base-Base interactions energy: -102.162
where: short stacking energy: -48.630
Base-Backbone interact. energy: -0.523
local terms energy: -71.389511
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -158.284614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.284614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.284614 (E_RNA)
where:
Base-Base interactions energy: -94.355
where: short stacking energy: -59.103
Base-Backbone interact. energy: -0.049
local terms energy: -63.879933
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -16.920
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: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -92.847964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.847964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.847964 (E_RNA)
where:
Base-Base interactions energy: -35.193
where: short stacking energy: -31.962
Base-Backbone interact. energy: -0.296
local terms energy: -57.358851
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -9.351
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: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -97.739620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.739620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.739620 (E_RNA)
where:
Base-Base interactions energy: -48.945
where: short stacking energy: -43.358
Base-Backbone interact. energy: 0.998
local terms energy: -49.792290
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -1.570
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -83.071959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.071959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.071959 (E_RNA)
where:
Base-Base interactions energy: -38.474
where: short stacking energy: -29.109
Base-Backbone interact. energy: -0.016
local terms energy: -44.581297
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -88.960212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960212 (E_RNA)
where:
Base-Base interactions energy: -44.184
where: short stacking energy: -37.006
Base-Backbone interact. energy: -0.302
local terms energy: -44.474151
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -4.944
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -79.939412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.939412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.939412 (E_RNA)
where:
Base-Base interactions energy: -40.409
where: short stacking energy: -27.557
Base-Backbone interact. energy: -0.271
local terms energy: -39.260229
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -8.055
flat angles C4'-P-C4' energy: -5.218
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -4.840
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: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -208.372129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.372129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.372129 (E_RNA)
where:
Base-Base interactions energy: -137.100
where: short stacking energy: -65.557
Base-Backbone interact. energy: 0.456
local terms energy: -71.729006
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -179.078906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.078906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.078906 (E_RNA)
where:
Base-Base interactions energy: -118.835
where: short stacking energy: -55.873
Base-Backbone interact. energy: -0.248
local terms energy: -59.995740
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -196.831959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.831959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.831959 (E_RNA)
where:
Base-Base interactions energy: -119.739
where: short stacking energy: -66.510
Base-Backbone interact. energy: -0.008
local terms energy: -77.084437
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -160.914539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.914539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.914539 (E_RNA)
where:
Base-Base interactions energy: -93.702
where: short stacking energy: -55.600
Base-Backbone interact. energy: 0.635
local terms energy: -67.847456
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -17.957
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: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -166.419182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.419182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.419182 (E_RNA)
where:
Base-Base interactions energy: -96.576
where: short stacking energy: -52.444
Base-Backbone interact. energy: -0.046
local terms energy: -69.797109
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -16.093
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: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -84.485519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.485519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.485519 (E_RNA)
where:
Base-Base interactions energy: -27.843
where: short stacking energy: -25.964
Base-Backbone interact. energy: -0.047
local terms energy: -56.595598
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -101.849617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.849617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.849617 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -37.092
Base-Backbone interact. energy: -0.001
local terms energy: -64.756463
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -14.531
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: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -92.332239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.332239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.332239 (E_RNA)
where:
Base-Base interactions energy: -42.336
where: short stacking energy: -33.080
Base-Backbone interact. energy: -0.034
local terms energy: -49.962991
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -77.213593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.213593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.213593 (E_RNA)
where:
Base-Base interactions energy: -31.832
where: short stacking energy: -31.832
Base-Backbone interact. energy: -0.201
local terms energy: -45.181394
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -8.568
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -73.275559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.275559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.275559 (E_RNA)
where:
Base-Base interactions energy: -27.318
where: short stacking energy: -18.141
Base-Backbone interact. energy: -0.468
local terms energy: -45.489536
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -1.460
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: 446
Temperature: 0.900000
Total energy: -215.575679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.575679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.575679 (E_RNA)
where:
Base-Base interactions energy: -139.735
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.191
local terms energy: -75.649510
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -13.490
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: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -194.300907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.300907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.300907 (E_RNA)
where:
Base-Base interactions energy: -128.106
where: short stacking energy: -54.962
Base-Backbone interact. energy: 0.018
local terms energy: -66.213392
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -200.004806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.004806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.004806 (E_RNA)
where:
Base-Base interactions energy: -125.495
where: short stacking energy: -61.400
Base-Backbone interact. energy: -0.886
local terms energy: -73.623912
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -183.766375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.766375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.766375 (E_RNA)
where:
Base-Base interactions energy: -115.305
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.024
local terms energy: -68.437064
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -9.518
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: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -142.337035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.337035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.337035 (E_RNA)
where:
Base-Base interactions energy: -82.552
where: short stacking energy: -38.827
Base-Backbone interact. energy: -0.203
local terms energy: -59.582903
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -6.252
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: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -108.536954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.536954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.536954 (E_RNA)
where:
Base-Base interactions energy: -61.020
where: short stacking energy: -36.101
Base-Backbone interact. energy: -0.006
local terms energy: -47.511597
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -157.932624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.932624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.932624 (E_RNA)
where:
Base-Base interactions energy: -96.808
where: short stacking energy: -45.655
Base-Backbone interact. energy: -0.385
local terms energy: -60.739128
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -95.274665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.274665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.274665 (E_RNA)
where:
Base-Base interactions energy: -42.287
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.011
local terms energy: -52.976124
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -82.833086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.833086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.833086 (E_RNA)
where:
Base-Base interactions energy: -26.696
where: short stacking energy: -26.696
Base-Backbone interact. energy: -0.103
local terms energy: -56.033527
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -77.598014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.598014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.598014 (E_RNA)
where:
Base-Base interactions energy: -29.000
where: short stacking energy: -25.830
Base-Backbone interact. energy: -0.061
local terms energy: -48.537306
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -210.171872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.171872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.171872 (E_RNA)
where:
Base-Base interactions energy: -132.743
where: short stacking energy: -73.494
Base-Backbone interact. energy: -0.017
local terms energy: -77.411827
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -213.363193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.363193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.363193 (E_RNA)
where:
Base-Base interactions energy: -139.355
where: short stacking energy: -77.307
Base-Backbone interact. energy: -0.003
local terms energy: -74.005202
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -189.971799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.971799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.971799 (E_RNA)
where:
Base-Base interactions energy: -127.961
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.407
local terms energy: -61.602936
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -179.596249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.596249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.596249 (E_RNA)
where:
Base-Base interactions energy: -119.637
where: short stacking energy: -55.528
Base-Backbone interact. energy: -0.056
local terms energy: -59.902865
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -155.341756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.341756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.341756 (E_RNA)
where:
Base-Base interactions energy: -100.697
where: short stacking energy: -53.673
Base-Backbone interact. energy: -0.630
local terms energy: -54.014652
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -114.281047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.281047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.281047 (E_RNA)
where:
Base-Base interactions energy: -56.718
where: short stacking energy: -43.019
Base-Backbone interact. energy: 0.641
local terms energy: -58.204182
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -130.443930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.443930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.443930 (E_RNA)
where:
Base-Base interactions energy: -78.192
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.104
local terms energy: -52.148177
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -7.166
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: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -92.433857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.433857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.433857 (E_RNA)
where:
Base-Base interactions energy: -39.579
where: short stacking energy: -35.285
Base-Backbone interact. energy: -0.548
local terms energy: -52.307203
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -8.339
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: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -89.575234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.575234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.575234 (E_RNA)
where:
Base-Base interactions energy: -37.799
where: short stacking energy: -35.253
Base-Backbone interact. energy: -0.097
local terms energy: -51.679708
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -74.053124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.053124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.053124 (E_RNA)
where:
Base-Base interactions energy: -31.753
where: short stacking energy: -21.973
Base-Backbone interact. energy: -1.030
local terms energy: -41.270133
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: 2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -212.882955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.882955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.882955 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -75.352
Base-Backbone interact. energy: -1.291
local terms energy: -79.313803
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -19.130
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: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -196.566445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.566445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.566445 (E_RNA)
where:
Base-Base interactions energy: -123.699
where: short stacking energy: -56.798
Base-Backbone interact. energy: 0.161
local terms energy: -73.028482
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -190.991149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.991149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.991149 (E_RNA)
where:
Base-Base interactions energy: -118.012
where: short stacking energy: -57.773
Base-Backbone interact. energy: 0.839
local terms energy: -73.817651
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -17.817
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: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -173.569516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.569516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.569516 (E_RNA)
where:
Base-Base interactions energy: -107.717
where: short stacking energy: -51.166
Base-Backbone interact. energy: -0.254
local terms energy: -65.599300
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -153.782160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.782160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.782160 (E_RNA)
where:
Base-Base interactions energy: -83.779
where: short stacking energy: -48.986
Base-Backbone interact. energy: -0.057
local terms energy: -69.946455
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -10.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -109.239722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.239722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.239722 (E_RNA)
where:
Base-Base interactions energy: -49.672
where: short stacking energy: -30.644
Base-Backbone interact. energy: 0.655
local terms energy: -60.222352
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -149.326504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.326504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.326504 (E_RNA)
where:
Base-Base interactions energy: -94.371
where: short stacking energy: -44.396
Base-Backbone interact. energy: -0.092
local terms energy: -54.863542
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -7.827
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: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -91.771109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.771109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.771109 (E_RNA)
where:
Base-Base interactions energy: -46.747
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.170
local terms energy: -44.853614
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -83.308584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.308584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.308584 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -19.615
Base-Backbone interact. energy: -0.294
local terms energy: -42.145650
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -6.105
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -67.604279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.604279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.604279 (E_RNA)
where:
Base-Base interactions energy: -22.460
where: short stacking energy: -21.349
Base-Backbone interact. energy: -0.179
local terms energy: -44.965305
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: 1.200
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: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -211.377820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.377820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.377820 (E_RNA)
where:
Base-Base interactions energy: -135.426
where: short stacking energy: -73.326
Base-Backbone interact. energy: -0.004
local terms energy: -75.947611
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -21.065
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: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -193.163488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.163488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.163488 (E_RNA)
where:
Base-Base interactions energy: -118.025
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.284
local terms energy: -74.854598
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -165.543937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.543937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.543937 (E_RNA)
where:
Base-Base interactions energy: -102.217
where: short stacking energy: -47.027
Base-Backbone interact. energy: -0.079
local terms energy: -63.247989
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -165.671445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.671445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.671445 (E_RNA)
where:
Base-Base interactions energy: -101.480
where: short stacking energy: -52.381
Base-Backbone interact. energy: -0.588
local terms energy: -63.603505
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -150.751701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.751701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.751701 (E_RNA)
where:
Base-Base interactions energy: -83.306
where: short stacking energy: -45.721
Base-Backbone interact. energy: -0.178
local terms energy: -67.267195
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -135.404004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.404004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.404004 (E_RNA)
where:
Base-Base interactions energy: -81.193
where: short stacking energy: -43.305
Base-Backbone interact. energy: -0.069
local terms energy: -54.141456
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -9.048
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: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -91.761909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.761909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.761909 (E_RNA)
where:
Base-Base interactions energy: -38.232
where: short stacking energy: -38.232
Base-Backbone interact. energy: -0.082
local terms energy: -53.448228
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -93.402056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.402056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.402056 (E_RNA)
where:
Base-Base interactions energy: -39.001
where: short stacking energy: -19.755
Base-Backbone interact. energy: -0.876
local terms energy: -53.525131
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -8.678
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: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -81.676500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.676500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.676500 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -31.832
Base-Backbone interact. energy: -0.231
local terms energy: -46.284059
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -6.703
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -80.987964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.987964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.987964 (E_RNA)
where:
Base-Base interactions energy: -31.004
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.180
local terms energy: -49.803323
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -6.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -214.896430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.896430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.896430 (E_RNA)
where:
Base-Base interactions energy: -138.170
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.266
local terms energy: -76.460065
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -193.812738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.812738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.812738 (E_RNA)
where:
Base-Base interactions energy: -124.747
where: short stacking energy: -64.477
Base-Backbone interact. energy: -0.023
local terms energy: -69.042716
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -194.765829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.765829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.765829 (E_RNA)
where:
Base-Base interactions energy: -120.134
where: short stacking energy: -59.752
Base-Backbone interact. energy: -0.470
local terms energy: -74.162677
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -178.322480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.322480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.322480 (E_RNA)
where:
Base-Base interactions energy: -121.702
where: short stacking energy: -42.964
Base-Backbone interact. energy: 0.989
local terms energy: -57.610116
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -6.997
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: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -135.836033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.836033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.836033 (E_RNA)
where:
Base-Base interactions energy: -79.555
where: short stacking energy: -41.674
Base-Backbone interact. energy: -0.005
local terms energy: -56.276030
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -7.312
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: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -131.729957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.729957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.729957 (E_RNA)
where:
Base-Base interactions energy: -84.682
where: short stacking energy: -43.175
Base-Backbone interact. energy: -0.345
local terms energy: -46.702882
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -92.418246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.418246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.418246 (E_RNA)
where:
Base-Base interactions energy: -34.773
where: short stacking energy: -34.773
Base-Backbone interact. energy: -0.100
local terms energy: -57.545529
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -91.672800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.672800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.672800 (E_RNA)
where:
Base-Base interactions energy: -35.151
where: short stacking energy: -35.151
Base-Backbone interact. energy: 0.859
local terms energy: -57.380304
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -7.310
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: 450
Temperature: 1.300000
Total energy: -82.889556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.889556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.889556 (E_RNA)
where:
Base-Base interactions energy: -37.129
where: short stacking energy: -22.564
Base-Backbone interact. energy: -2.068
local terms energy: -43.693457
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: 2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -85.192692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.192692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.192692 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -27.608
Base-Backbone interact. energy: 0.030
local terms energy: -55.360539
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -213.112697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.112697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.112697 (E_RNA)
where:
Base-Base interactions energy: -138.486
where: short stacking energy: -71.224
Base-Backbone interact. energy: -0.885
local terms energy: -73.741954
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -206.552410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.552410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.552410 (E_RNA)
where:
Base-Base interactions energy: -124.662
where: short stacking energy: -72.329
Base-Backbone interact. energy: -0.385
local terms energy: -81.505309
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -22.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -184.752018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.752018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.752018 (E_RNA)
where:
Base-Base interactions energy: -109.755
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.006
local terms energy: -74.990659
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -12.706
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: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -167.964967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.964967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.964967 (E_RNA)
where:
Base-Base interactions energy: -101.555
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.145
local terms energy: -66.264717
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -16.736
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: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -183.987446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.987446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.987446 (E_RNA)
where:
Base-Base interactions energy: -121.296
where: short stacking energy: -56.232
Base-Backbone interact. energy: 0.909
local terms energy: -63.600461
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -154.915518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.915518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.915518 (E_RNA)
where:
Base-Base interactions energy: -96.027
where: short stacking energy: -35.229
Base-Backbone interact. energy: -0.620
local terms energy: -58.268905
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -94.569544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.569544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.569544 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -34.985
Base-Backbone interact. energy: -0.206
local terms energy: -59.379105
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -90.482368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.482368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.482368 (E_RNA)
where:
Base-Base interactions energy: -38.006
where: short stacking energy: -38.568
Base-Backbone interact. energy: -0.776
local terms energy: -51.700158
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -10.322
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: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -90.223144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.223144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.223144 (E_RNA)
where:
Base-Base interactions energy: -43.625
where: short stacking energy: -32.992
Base-Backbone interact. energy: -0.157
local terms energy: -46.440877
where:
bonds (distance) C4'-P energy: -7.053
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -5.945
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: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -84.017543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.017543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.017543 (E_RNA)
where:
Base-Base interactions energy: -31.002
where: short stacking energy: -21.396
Base-Backbone interact. energy: -0.246
local terms energy: -52.769486
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -6.227
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: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -215.500383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.500383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.500383 (E_RNA)
where:
Base-Base interactions energy: -141.047
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.509
local terms energy: -73.944061
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -19.498
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: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -192.911494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.911494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.911494 (E_RNA)
where:
Base-Base interactions energy: -126.069
where: short stacking energy: -61.792
Base-Backbone interact. energy: -0.053
local terms energy: -66.789164
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -177.001517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.001517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.001517 (E_RNA)
where:
Base-Base interactions energy: -115.081
where: short stacking energy: -57.429
Base-Backbone interact. energy: -0.066
local terms energy: -61.854579
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -186.143845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.143845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.143845 (E_RNA)
where:
Base-Base interactions energy: -111.545
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.034
local terms energy: -74.565085
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -194.351942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.351942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.351942 (E_RNA)
where:
Base-Base interactions energy: -128.901
where: short stacking energy: -59.440
Base-Backbone interact. energy: 3.233
local terms energy: -68.683982
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -158.257082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.257082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.257082 (E_RNA)
where:
Base-Base interactions energy: -96.410
where: short stacking energy: -56.484
Base-Backbone interact. energy: -0.002
local terms energy: -61.844977
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -11.024
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: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -99.690769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.690769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.690769 (E_RNA)
where:
Base-Base interactions energy: -40.388
where: short stacking energy: -37.046
Base-Backbone interact. energy: 0.128
local terms energy: -59.430786
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -82.358313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.358313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.358313 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.208
local terms energy: -49.674075
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -89.238613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.238613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.238613 (E_RNA)
where:
Base-Base interactions energy: -39.841
where: short stacking energy: -21.457
Base-Backbone interact. energy: 0.174
local terms energy: -49.571990
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -7.710
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: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -82.377570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377570 (E_RNA)
where:
Base-Base interactions energy: -38.695
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.205
local terms energy: -43.476757
where:
bonds (distance) C4'-P energy: -7.603
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -213.023640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.023640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.023640 (E_RNA)
where:
Base-Base interactions energy: -137.099
where: short stacking energy: -72.720
Base-Backbone interact. energy: -0.002
local terms energy: -75.923435
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -185.620001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.620001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.620001 (E_RNA)
where:
Base-Base interactions energy: -116.584
where: short stacking energy: -66.236
Base-Backbone interact. energy: -1.699
local terms energy: -67.337337
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -7.318
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: 3, replica: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -197.259905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.259905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.259905 (E_RNA)
where:
Base-Base interactions energy: -127.521
where: short stacking energy: -60.998
Base-Backbone interact. energy: -0.147
local terms energy: -69.592084
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -198.174012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.174012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.174012 (E_RNA)
where:
Base-Base interactions energy: -131.667
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.096
local terms energy: -66.410662
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -163.943174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.943174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.943174 (E_RNA)
where:
Base-Base interactions energy: -96.119
where: short stacking energy: -47.691
Base-Backbone interact. energy: -0.138
local terms energy: -67.686020
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -172.203346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.203346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.203346 (E_RNA)
where:
Base-Base interactions energy: -101.802
where: short stacking energy: -58.470
Base-Backbone interact. energy: -0.100
local terms energy: -70.301135
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -12.844
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: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -126.010597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.010597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.010597 (E_RNA)
where:
Base-Base interactions energy: -75.180
where: short stacking energy: -41.991
Base-Backbone interact. energy: -0.164
local terms energy: -50.666987
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -84.719828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.719828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.719828 (E_RNA)
where:
Base-Base interactions energy: -31.247
where: short stacking energy: -29.547
Base-Backbone interact. energy: -0.093
local terms energy: -53.379474
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -88.412406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.412406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.412406 (E_RNA)
where:
Base-Base interactions energy: -37.241
where: short stacking energy: -32.802
Base-Backbone interact. energy: 0.864
local terms energy: -52.035102
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -89.474087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.474087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.474087 (E_RNA)
where:
Base-Base interactions energy: -42.957
where: short stacking energy: -36.753
Base-Backbone interact. energy: 2.735
local terms energy: -49.251698
where:
bonds (distance) C4'-P energy: -4.958
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -215.097265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.097265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.097265 (E_RNA)
where:
Base-Base interactions energy: -136.606
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.017
local terms energy: -78.474395
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -192.759792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.759792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.759792 (E_RNA)
where:
Base-Base interactions energy: -118.753
where: short stacking energy: -65.461
Base-Backbone interact. energy: -0.306
local terms energy: -73.700477
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -211.104665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.104665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.104665 (E_RNA)
where:
Base-Base interactions energy: -136.197
where: short stacking energy: -71.767
Base-Backbone interact. energy: -0.047
local terms energy: -74.861239
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -11.291
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: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -176.141089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.141089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.141089 (E_RNA)
where:
Base-Base interactions energy: -116.841
where: short stacking energy: -56.989
Base-Backbone interact. energy: 2.076
local terms energy: -61.375890
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -12.052
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: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -165.181540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.181540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.181540 (E_RNA)
where:
Base-Base interactions energy: -104.174
where: short stacking energy: -57.154
Base-Backbone interact. energy: -0.008
local terms energy: -60.999414
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -140.939567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.939567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.939567 (E_RNA)
where:
Base-Base interactions energy: -86.207
where: short stacking energy: -40.263
Base-Backbone interact. energy: -0.019
local terms energy: -54.713852
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -111.599648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.599648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.599648 (E_RNA)
where:
Base-Base interactions energy: -61.844
where: short stacking energy: -29.786
Base-Backbone interact. energy: -0.160
local terms energy: -49.595690
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -96.156956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.156956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.156956 (E_RNA)
where:
Base-Base interactions energy: -44.843
where: short stacking energy: -23.901
Base-Backbone interact. energy: 0.364
local terms energy: -51.677827
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.724
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: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -89.430585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.430585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.430585 (E_RNA)
where:
Base-Base interactions energy: -34.695
where: short stacking energy: -18.173
Base-Backbone interact. energy: -0.242
local terms energy: -54.493459
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -7.706
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: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -78.493557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.493557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.493557 (E_RNA)
where:
Base-Base interactions energy: -30.155
where: short stacking energy: -29.519
Base-Backbone interact. energy: 0.182
local terms energy: -48.520720
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -2.798
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: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -219.089641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.089641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.089641 (E_RNA)
where:
Base-Base interactions energy: -137.700
where: short stacking energy: -68.026
Base-Backbone interact. energy: -0.028
local terms energy: -81.362382
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -21.838
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: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -207.019110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.019110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.019110 (E_RNA)
where:
Base-Base interactions energy: -130.722
where: short stacking energy: -62.902
Base-Backbone interact. energy: 0.115
local terms energy: -76.411709
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -21.312
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: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -185.592518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.592518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.592518 (E_RNA)
where:
Base-Base interactions energy: -109.239
where: short stacking energy: -63.663
Base-Backbone interact. energy: -2.202
local terms energy: -74.151077
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.929
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: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -180.693188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.693188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.693188 (E_RNA)
where:
Base-Base interactions energy: -116.197
where: short stacking energy: -58.698
Base-Backbone interact. energy: -0.122
local terms energy: -64.373872
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -180.125044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.125044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.125044 (E_RNA)
where:
Base-Base interactions energy: -111.956
where: short stacking energy: -55.946
Base-Backbone interact. energy: -0.039
local terms energy: -68.130042
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -145.801448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.801448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.801448 (E_RNA)
where:
Base-Base interactions energy: -83.202
where: short stacking energy: -45.382
Base-Backbone interact. energy: -0.135
local terms energy: -62.464021
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -9.342
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: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -96.935010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.935010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.935010 (E_RNA)
where:
Base-Base interactions energy: -37.584
where: short stacking energy: -35.755
Base-Backbone interact. energy: -0.010
local terms energy: -59.341479
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -92.204192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.204192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.204192 (E_RNA)
where:
Base-Base interactions energy: -40.804
where: short stacking energy: -40.804
Base-Backbone interact. energy: -0.122
local terms energy: -51.277680
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -6.982
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -82.681701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.681701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.681701 (E_RNA)
where:
Base-Base interactions energy: -31.719
where: short stacking energy: -25.099
Base-Backbone interact. energy: -0.670
local terms energy: -50.292901
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -7.209
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: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -81.591503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.591503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.591503 (E_RNA)
where:
Base-Base interactions energy: -28.742
where: short stacking energy: -28.041
Base-Backbone interact. energy: -0.339
local terms energy: -52.510372
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -201.761765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.761765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.761765 (E_RNA)
where:
Base-Base interactions energy: -124.829
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.686
local terms energy: -76.246917
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -197.552831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.552831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.552831 (E_RNA)
where:
Base-Base interactions energy: -126.818
where: short stacking energy: -73.212
Base-Backbone interact. energy: -0.462
local terms energy: -70.273280
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -171.379281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.379281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.379281 (E_RNA)
where:
Base-Base interactions energy: -108.320
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.302
local terms energy: -62.757550
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -152.656366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.656366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.656366 (E_RNA)
where:
Base-Base interactions energy: -88.791
where: short stacking energy: -54.264
Base-Backbone interact. energy: -0.840
local terms energy: -63.026203
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -152.734695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.734695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.734695 (E_RNA)
where:
Base-Base interactions energy: -84.918
where: short stacking energy: -38.028
Base-Backbone interact. energy: -0.111
local terms energy: -67.705934
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -10.308
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: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -202.743485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.743485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.743485 (E_RNA)
where:
Base-Base interactions energy: -126.301
where: short stacking energy: -52.873
Base-Backbone interact. energy: -0.925
local terms energy: -75.517734
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -100.695287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.695287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.695287 (E_RNA)
where:
Base-Base interactions energy: -45.124
where: short stacking energy: -43.481
Base-Backbone interact. energy: -0.024
local terms energy: -55.547203
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -11.593
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: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -84.063500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.063500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.063500 (E_RNA)
where:
Base-Base interactions energy: -31.143
where: short stacking energy: -21.200
Base-Backbone interact. energy: -0.061
local terms energy: -52.858890
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -76.439377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.439377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.439377 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -33.322
Base-Backbone interact. energy: -0.190
local terms energy: -42.020690
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -80.961925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.961925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.961925 (E_RNA)
where:
Base-Base interactions energy: -32.227
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.063
local terms energy: -48.671868
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -5.817
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: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -214.244543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.244543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.244543 (E_RNA)
where:
Base-Base interactions energy: -136.085
where: short stacking energy: -73.338
Base-Backbone interact. energy: -0.516
local terms energy: -77.643275
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -198.972895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.972895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.972895 (E_RNA)
where:
Base-Base interactions energy: -127.813
where: short stacking energy: -75.003
Base-Backbone interact. energy: -0.149
local terms energy: -71.011065
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -165.234159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.234159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.234159 (E_RNA)
where:
Base-Base interactions energy: -95.597
where: short stacking energy: -57.329
Base-Backbone interact. energy: -1.487
local terms energy: -68.150422
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -10.156
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: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -157.983573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.983573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.983573 (E_RNA)
where:
Base-Base interactions energy: -97.017
where: short stacking energy: -50.018
Base-Backbone interact. energy: -0.305
local terms energy: -60.661680
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -154.791469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.791469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.791469 (E_RNA)
where:
Base-Base interactions energy: -86.603
where: short stacking energy: -50.557
Base-Backbone interact. energy: -0.067
local terms energy: -68.121140
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -177.678813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.678813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.678813 (E_RNA)
where:
Base-Base interactions energy: -111.521
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.011
local terms energy: -66.147012
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -8.085
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: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -105.870616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.870616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.870616 (E_RNA)
where:
Base-Base interactions energy: -41.697
where: short stacking energy: -41.697
Base-Backbone interact. energy: -0.004
local terms energy: -64.168839
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -6.130
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: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -93.916914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.916914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.916914 (E_RNA)
where:
Base-Base interactions energy: -37.812
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.071
local terms energy: -56.033941
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -85.034889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.034889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.034889 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -27.263
Base-Backbone interact. energy: -0.029
local terms energy: -52.940914
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -3.342
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: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -78.468981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.468981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.468981 (E_RNA)
where:
Base-Base interactions energy: -29.383
where: short stacking energy: -29.383
Base-Backbone interact. energy: -0.124
local terms energy: -48.961947
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -1.216
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: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -213.218461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.218461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.218461 (E_RNA)
where:
Base-Base interactions energy: -134.603
where: short stacking energy: -74.682
Base-Backbone interact. energy: -0.003
local terms energy: -78.612762
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -205.276946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.276946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.276946 (E_RNA)
where:
Base-Base interactions energy: -126.768
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.002
local terms energy: -78.506264
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -173.142297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.142297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.142297 (E_RNA)
where:
Base-Base interactions energy: -100.452
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.004
local terms energy: -72.686825
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -9.804
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: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -152.317963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.317963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.317963 (E_RNA)
where:
Base-Base interactions energy: -89.816
where: short stacking energy: -45.912
Base-Backbone interact. energy: -0.184
local terms energy: -62.318600
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -190.395546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.395546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.395546 (E_RNA)
where:
Base-Base interactions energy: -124.275
where: short stacking energy: -57.462
Base-Backbone interact. energy: -0.086
local terms energy: -66.034641
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -154.761814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.761814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.761814 (E_RNA)
where:
Base-Base interactions energy: -100.751
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.026
local terms energy: -53.984731
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -3.533
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: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -87.001349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.001349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.001349 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -23.962
Base-Backbone interact. energy: -0.274
local terms energy: -53.766906
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -90.576603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.576603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.576603 (E_RNA)
where:
Base-Base interactions energy: -34.805
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.061
local terms energy: -55.711156
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -78.937869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.937869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.937869 (E_RNA)
where:
Base-Base interactions energy: -26.105
where: short stacking energy: -23.687
Base-Backbone interact. energy: -0.156
local terms energy: -52.677052
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -74.553004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.553004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.553004 (E_RNA)
where:
Base-Base interactions energy: -30.570
where: short stacking energy: -21.271
Base-Backbone interact. energy: -0.759
local terms energy: -43.223797
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -9.887
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: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -209.497869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.497869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.497869 (E_RNA)
where:
Base-Base interactions energy: -135.441
where: short stacking energy: -68.605
Base-Backbone interact. energy: -0.031
local terms energy: -74.025716
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -18.482
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: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -204.977729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.977729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.977729 (E_RNA)
where:
Base-Base interactions energy: -130.626
where: short stacking energy: -58.534
Base-Backbone interact. energy: -0.118
local terms energy: -74.233202
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -16.986
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: 459
Temperature: 1.000000
Total energy: -157.056761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.056761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.056761 (E_RNA)
where:
Base-Base interactions energy: -94.726
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.115
local terms energy: -62.215470
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -10.384
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: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -178.481214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.481214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.481214 (E_RNA)
where:
Base-Base interactions energy: -111.918
where: short stacking energy: -59.300
Base-Backbone interact. energy: -0.121
local terms energy: -66.441822
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -7.027
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -15.619
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: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -184.628822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.628822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.628822 (E_RNA)
where:
Base-Base interactions energy: -117.387
where: short stacking energy: -63.110
Base-Backbone interact. energy: 1.135
local terms energy: -68.376268
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -9.220
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: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -146.024943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.024943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.024943 (E_RNA)
where:
Base-Base interactions energy: -85.218
where: short stacking energy: -45.238
Base-Backbone interact. energy: -0.040
local terms energy: -60.766967
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -86.399163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.399163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.399163 (E_RNA)
where:
Base-Base interactions energy: -42.254
where: short stacking energy: -42.254
Base-Backbone interact. energy: -0.134
local terms energy: -44.011281
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -1.232
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -81.401642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.401642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.401642 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -29.934
Base-Backbone interact. energy: -0.035
local terms energy: -47.574763
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -1.817
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -94.988028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.988028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.988028 (E_RNA)
where:
Base-Base interactions energy: -48.109
where: short stacking energy: -33.474
Base-Backbone interact. energy: -0.337
local terms energy: -46.541053
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -7.626
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -83.203718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.203718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.203718 (E_RNA)
where:
Base-Base interactions energy: -34.896
where: short stacking energy: -34.166
Base-Backbone interact. energy: -0.140
local terms energy: -48.167548
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -7.579
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -209.865833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.865833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.865833 (E_RNA)
where:
Base-Base interactions energy: -135.013
where: short stacking energy: -66.770
Base-Backbone interact. energy: -0.582
local terms energy: -74.270190
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -18.744
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: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -213.424236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.424236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.424236 (E_RNA)
where:
Base-Base interactions energy: -144.108
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.172
local terms energy: -69.144984
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -182.911552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.911552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.911552 (E_RNA)
where:
Base-Base interactions energy: -113.517
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.023
local terms energy: -69.371137
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -141.819758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.819758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.819758 (E_RNA)
where:
Base-Base interactions energy: -88.180
where: short stacking energy: -45.499
Base-Backbone interact. energy: 1.310
local terms energy: -54.950377
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -180.007107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.007107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.007107 (E_RNA)
where:
Base-Base interactions energy: -113.887
where: short stacking energy: -69.478
Base-Backbone interact. energy: -0.674
local terms energy: -65.446505
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -16.158
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: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -146.512392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.512392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.512392 (E_RNA)
where:
Base-Base interactions energy: -84.496
where: short stacking energy: -44.206
Base-Backbone interact. energy: 2.494
local terms energy: -64.511206
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -8.420
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: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -106.069016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.069016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.069016 (E_RNA)
where:
Base-Base interactions energy: -44.304
where: short stacking energy: -41.183
Base-Backbone interact. energy: 2.313
local terms energy: -64.078484
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -93.005839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005839 (E_RNA)
where:
Base-Base interactions energy: -38.906
where: short stacking energy: -27.881
Base-Backbone interact. energy: -0.243
local terms energy: -53.857654
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -87.486012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.486012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.486012 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -37.408
Base-Backbone interact. energy: -0.222
local terms energy: -49.648261
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -5.039
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: 460
Temperature: 1.350000
Total energy: -82.426958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.426958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.426958 (E_RNA)
where:
Base-Base interactions energy: -40.290
where: short stacking energy: -15.915
Base-Backbone interact. energy: -0.355
local terms energy: -41.781705
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: 1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -203.034220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.034220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.034220 (E_RNA)
where:
Base-Base interactions energy: -123.360
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.001
local terms energy: -79.674006
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -19.818
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: 461
Temperature: 0.950000
Total energy: -207.294489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.294489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.294489 (E_RNA)
where:
Base-Base interactions energy: -137.272
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.399
local terms energy: -69.623018
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -6.480
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -193.056714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.056714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.056714 (E_RNA)
where:
Base-Base interactions energy: -116.563
where: short stacking energy: -61.512
Base-Backbone interact. energy: -0.406
local terms energy: -76.087864
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -196.777874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.777874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.777874 (E_RNA)
where:
Base-Base interactions energy: -124.666
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.541
local terms energy: -71.571069
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -163.513695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.513695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.513695 (E_RNA)
where:
Base-Base interactions energy: -97.009
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.135
local terms energy: -66.369395
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -7.569
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: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -160.839243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.839243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.839243 (E_RNA)
where:
Base-Base interactions energy: -95.349
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.024
local terms energy: -65.466815
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -86.821993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.821993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.821993 (E_RNA)
where:
Base-Base interactions energy: -36.037
where: short stacking energy: -33.044
Base-Backbone interact. energy: 0.941
local terms energy: -51.725951
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -79.965035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.965035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.965035 (E_RNA)
where:
Base-Base interactions energy: -30.330
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.146
local terms energy: -49.489048
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -90.485183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.485183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.485183 (E_RNA)
where:
Base-Base interactions energy: -33.284
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.096
local terms energy: -57.105212
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -94.075849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.075849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.075849 (E_RNA)
where:
Base-Base interactions energy: -47.616
where: short stacking energy: -40.793
Base-Backbone interact. energy: -0.044
local terms energy: -46.415469
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -216.308998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.308998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.308998 (E_RNA)
where:
Base-Base interactions energy: -142.507
where: short stacking energy: -70.607
Base-Backbone interact. energy: -0.131
local terms energy: -73.670455
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -203.844570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.844570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.844570 (E_RNA)
where:
Base-Base interactions energy: -132.735
where: short stacking energy: -65.537
Base-Backbone interact. energy: -0.112
local terms energy: -70.997189
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -15.270
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: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -193.992473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.992473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.992473 (E_RNA)
where:
Base-Base interactions energy: -125.711
where: short stacking energy: -55.011
Base-Backbone interact. energy: -0.356
local terms energy: -67.925119
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -10.405
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: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -184.288899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.288899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.288899 (E_RNA)
where:
Base-Base interactions energy: -120.036
where: short stacking energy: -65.440
Base-Backbone interact. energy: -0.087
local terms energy: -64.166048
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -161.214154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.214154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.214154 (E_RNA)
where:
Base-Base interactions energy: -101.740
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.057
local terms energy: -59.416793
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -6.466
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -146.105256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.105256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.105256 (E_RNA)
where:
Base-Base interactions energy: -93.019
where: short stacking energy: -35.519
Base-Backbone interact. energy: -0.685
local terms energy: -52.402016
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -95.475118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.475118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.475118 (E_RNA)
where:
Base-Base interactions energy: -45.539
where: short stacking energy: -39.166
Base-Backbone interact. energy: -0.123
local terms energy: -49.812942
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -6.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -106.401259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.401259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.401259 (E_RNA)
where:
Base-Base interactions energy: -48.616
where: short stacking energy: -38.954
Base-Backbone interact. energy: -0.096
local terms energy: -57.688738
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -6.906
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: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -82.868632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.868632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.868632 (E_RNA)
where:
Base-Base interactions energy: -27.092
where: short stacking energy: -28.464
Base-Backbone interact. energy: 0.372
local terms energy: -56.148400
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.170
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: 462
Temperature: 1.350000
Total energy: -77.331458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.331458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.331458 (E_RNA)
where:
Base-Base interactions energy: -21.942
where: short stacking energy: -22.342
Base-Backbone interact. energy: -0.163
local terms energy: -55.225763
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: 2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -224.555035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.555035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.555035 (E_RNA)
where:
Base-Base interactions energy: -140.380
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.660
local terms energy: -83.514806
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -207.207474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.207474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.207474 (E_RNA)
where:
Base-Base interactions energy: -130.052
where: short stacking energy: -61.160
Base-Backbone interact. energy: -0.047
local terms energy: -77.108283
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -18.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -184.482186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.482186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.482186 (E_RNA)
where:
Base-Base interactions energy: -121.039
where: short stacking energy: -54.018
Base-Backbone interact. energy: -0.590
local terms energy: -62.853035
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -14.076
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: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -160.327827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.327827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.327827 (E_RNA)
where:
Base-Base interactions energy: -97.284
where: short stacking energy: -45.696
Base-Backbone interact. energy: 0.695
local terms energy: -63.738633
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -10.977
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: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -156.307593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.307593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.307593 (E_RNA)
where:
Base-Base interactions energy: -96.798
where: short stacking energy: -49.510
Base-Backbone interact. energy: -0.121
local terms energy: -59.388477
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -145.775140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.775140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.775140 (E_RNA)
where:
Base-Base interactions energy: -84.738
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.153
local terms energy: -60.884459
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -102.823302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.823302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.823302 (E_RNA)
where:
Base-Base interactions energy: -45.089
where: short stacking energy: -43.311
Base-Backbone interact. energy: -0.057
local terms energy: -57.676830
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -96.159003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.159003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.159003 (E_RNA)
where:
Base-Base interactions energy: -46.944
where: short stacking energy: -26.303
Base-Backbone interact. energy: -0.122
local terms energy: -49.093570
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -89.426391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.426391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.426391 (E_RNA)
where:
Base-Base interactions energy: -37.348
where: short stacking energy: -28.316
Base-Backbone interact. energy: 0.853
local terms energy: -52.932032
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -83.824284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.824284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.824284 (E_RNA)
where:
Base-Base interactions energy: -33.714
where: short stacking energy: -19.769
Base-Backbone interact. energy: -0.206
local terms energy: -49.903984
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: 0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -221.327936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.327936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.327936 (E_RNA)
where:
Base-Base interactions energy: -139.850
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.159
local terms energy: -81.318988
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -201.247881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.247881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.247881 (E_RNA)
where:
Base-Base interactions energy: -125.268
where: short stacking energy: -69.905
Base-Backbone interact. energy: -0.111
local terms energy: -75.869065
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -198.722704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.722704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.722704 (E_RNA)
where:
Base-Base interactions energy: -121.473
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.350
local terms energy: -76.899998
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -10.906
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: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -167.873182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.873182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.873182 (E_RNA)
where:
Base-Base interactions energy: -106.386
where: short stacking energy: -64.664
Base-Backbone interact. energy: -0.004
local terms energy: -61.483073
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -157.937302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.937302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.937302 (E_RNA)
where:
Base-Base interactions energy: -87.981
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.356
local terms energy: -69.600234
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -162.557544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.557544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.557544 (E_RNA)
where:
Base-Base interactions energy: -100.541
where: short stacking energy: -57.596
Base-Backbone interact. energy: -0.018
local terms energy: -61.998591
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -6.450
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: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -85.077104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.077104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.077104 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -33.029
Base-Backbone interact. energy: -0.127
local terms energy: -50.262973
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -112.642270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.642270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.642270 (E_RNA)
where:
Base-Base interactions energy: -62.711
where: short stacking energy: -26.839
Base-Backbone interact. energy: -0.339
local terms energy: -49.591640
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -81.443879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.443879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.443879 (E_RNA)
where:
Base-Base interactions energy: -25.902
where: short stacking energy: -23.960
Base-Backbone interact. energy: -0.461
local terms energy: -55.080561
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -77.950436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.950436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.950436 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -27.975
Base-Backbone interact. energy: -0.100
local terms energy: -49.770773
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -224.508658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.508658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.508658 (E_RNA)
where:
Base-Base interactions energy: -140.320
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.372
local terms energy: -83.815990
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -199.230869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.230869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.230869 (E_RNA)
where:
Base-Base interactions energy: -125.755
where: short stacking energy: -68.462
Base-Backbone interact. energy: -0.025
local terms energy: -73.451024
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -20.980
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: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -206.618494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.618494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.618494 (E_RNA)
where:
Base-Base interactions energy: -134.897
where: short stacking energy: -63.773
Base-Backbone interact. energy: -0.038
local terms energy: -71.683218
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.465
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -162.996786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.996786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.996786 (E_RNA)
where:
Base-Base interactions energy: -99.592
where: short stacking energy: -57.060
Base-Backbone interact. energy: -0.734
local terms energy: -62.670511
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -154.460595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.460595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.460595 (E_RNA)
where:
Base-Base interactions energy: -89.901
where: short stacking energy: -49.443
Base-Backbone interact. energy: -0.156
local terms energy: -64.404018
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -10.974
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: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -157.379815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.379815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.379815 (E_RNA)
where:
Base-Base interactions energy: -96.795
where: short stacking energy: -49.170
Base-Backbone interact. energy: 0.280
local terms energy: -60.864821
where:
bonds (distance) C4'-P energy: -5.948
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -124.695993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.695993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.695993 (E_RNA)
where:
Base-Base interactions energy: -68.502
where: short stacking energy: -38.226
Base-Backbone interact. energy: 0.482
local terms energy: -56.676604
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -80.286054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.286054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.286054 (E_RNA)
where:
Base-Base interactions energy: -37.044
where: short stacking energy: -27.661
Base-Backbone interact. energy: -0.319
local terms energy: -42.923022
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -77.578246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.578246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.578246 (E_RNA)
where:
Base-Base interactions energy: -30.202
where: short stacking energy: -20.848
Base-Backbone interact. energy: -0.083
local terms energy: -47.292716
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -74.318124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.318124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.318124 (E_RNA)
where:
Base-Base interactions energy: -25.473
where: short stacking energy: -14.835
Base-Backbone interact. energy: -1.081
local terms energy: -47.763657
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -222.954875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.954875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.954875 (E_RNA)
where:
Base-Base interactions energy: -143.741
where: short stacking energy: -74.087
Base-Backbone interact. energy: -0.315
local terms energy: -78.899828
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -12.739
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: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -198.101549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.101549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.101549 (E_RNA)
where:
Base-Base interactions energy: -120.917
where: short stacking energy: -70.214
Base-Backbone interact. energy: -0.001
local terms energy: -77.184255
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -11.932
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: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -210.733045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.733045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.733045 (E_RNA)
where:
Base-Base interactions energy: -136.098
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.049
local terms energy: -74.586630
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -163.380386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.380386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.380386 (E_RNA)
where:
Base-Base interactions energy: -105.968
where: short stacking energy: -47.833
Base-Backbone interact. energy: -0.175
local terms energy: -57.237006
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -7.009
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: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -159.081259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.081259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.081259 (E_RNA)
where:
Base-Base interactions energy: -95.539
where: short stacking energy: -44.610
Base-Backbone interact. energy: -0.076
local terms energy: -63.466225
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -158.668216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.668216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.668216 (E_RNA)
where:
Base-Base interactions energy: -103.980
where: short stacking energy: -50.751
Base-Backbone interact. energy: 0.548
local terms energy: -55.235724
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -134.401478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.401478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.401478 (E_RNA)
where:
Base-Base interactions energy: -70.921
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.272
local terms energy: -63.208179
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -91.223781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.223781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.223781 (E_RNA)
where:
Base-Base interactions energy: -40.853
where: short stacking energy: -38.449
Base-Backbone interact. energy: 1.399
local terms energy: -51.769892
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -7.278
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: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -82.876322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.876322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.876322 (E_RNA)
where:
Base-Base interactions energy: -28.621
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.050
local terms energy: -54.205162
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -86.036485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.036485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.036485 (E_RNA)
where:
Base-Base interactions energy: -27.463
where: short stacking energy: -26.303
Base-Backbone interact. energy: -0.004
local terms energy: -58.569405
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -9.125
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: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -214.544920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.544920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.544920 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -69.821
Base-Backbone interact. energy: -0.011
local terms energy: -76.986314
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -211.691269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.691269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.691269 (E_RNA)
where:
Base-Base interactions energy: -132.334
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.340
local terms energy: -79.018156
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -20.483
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: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -179.608314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.608314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.608314 (E_RNA)
where:
Base-Base interactions energy: -110.573
where: short stacking energy: -64.586
Base-Backbone interact. energy: -0.073
local terms energy: -68.962099
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -13.440
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: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -163.900092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.900092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.900092 (E_RNA)
where:
Base-Base interactions energy: -104.145
where: short stacking energy: -50.412
Base-Backbone interact. energy: -0.626
local terms energy: -59.129367
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -9.948
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: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -158.610830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.610830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.610830 (E_RNA)
where:
Base-Base interactions energy: -95.727
where: short stacking energy: -43.046
Base-Backbone interact. energy: -0.138
local terms energy: -62.745702
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -157.960785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.960785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.960785 (E_RNA)
where:
Base-Base interactions energy: -103.920
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.206
local terms energy: -53.834020
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -129.799224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.799224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.799224 (E_RNA)
where:
Base-Base interactions energy: -79.188
where: short stacking energy: -45.131
Base-Backbone interact. energy: -0.295
local terms energy: -50.315869
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -2.278
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -146.483093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.483093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.483093 (E_RNA)
where:
Base-Base interactions energy: -96.404
where: short stacking energy: -45.578
Base-Backbone interact. energy: -1.042
local terms energy: -49.036817
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -89.342794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.342794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.342794 (E_RNA)
where:
Base-Base interactions energy: -29.601
where: short stacking energy: -29.601
Base-Backbone interact. energy: -0.451
local terms energy: -59.291086
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -78.745253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.745253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.745253 (E_RNA)
where:
Base-Base interactions energy: -29.349
where: short stacking energy: -26.463
Base-Backbone interact. energy: -0.115
local terms energy: -49.280502
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -0.735
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -215.996000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.996000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.996000 (E_RNA)
where:
Base-Base interactions energy: -134.652
where: short stacking energy: -71.111
Base-Backbone interact. energy: -0.038
local terms energy: -81.305479
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -215.569945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.569945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.569945 (E_RNA)
where:
Base-Base interactions energy: -136.825
where: short stacking energy: -65.010
Base-Backbone interact. energy: -0.014
local terms energy: -78.731408
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -173.643471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.643471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.643471 (E_RNA)
where:
Base-Base interactions energy: -106.584
where: short stacking energy: -46.665
Base-Backbone interact. energy: -0.235
local terms energy: -66.824460
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -184.369126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.369126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.369126 (E_RNA)
where:
Base-Base interactions energy: -114.637
where: short stacking energy: -53.414
Base-Backbone interact. energy: -0.294
local terms energy: -69.438501
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -173.434911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.434911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.434911 (E_RNA)
where:
Base-Base interactions energy: -105.332
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.323
local terms energy: -67.780188
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -147.424306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.424306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.424306 (E_RNA)
where:
Base-Base interactions energy: -80.167
where: short stacking energy: -44.062
Base-Backbone interact. energy: -0.167
local terms energy: -67.090264
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -138.932095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.932095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.932095 (E_RNA)
where:
Base-Base interactions energy: -83.996
where: short stacking energy: -43.730
Base-Backbone interact. energy: -0.314
local terms energy: -54.622357
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -86.960704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.960704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.960704 (E_RNA)
where:
Base-Base interactions energy: -32.757
where: short stacking energy: -30.989
Base-Backbone interact. energy: -0.458
local terms energy: -53.745654
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -79.128253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.128253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.128253 (E_RNA)
where:
Base-Base interactions energy: -26.503
where: short stacking energy: -24.755
Base-Backbone interact. energy: 0.168
local terms energy: -52.793936
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -6.955
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -74.386771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.386771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.386771 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.013
local terms energy: -41.432461
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -9.419
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -1.443
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -219.534181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.534181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.534181 (E_RNA)
where:
Base-Base interactions energy: -143.133
where: short stacking energy: -64.184
Base-Backbone interact. energy: -0.028
local terms energy: -76.373615
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -12.852
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: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -217.008322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.008322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.008322 (E_RNA)
where:
Base-Base interactions energy: -146.036
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.243
local terms energy: -70.729573
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -174.069320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.069320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.069320 (E_RNA)
where:
Base-Base interactions energy: -107.775
where: short stacking energy: -50.617
Base-Backbone interact. energy: -0.052
local terms energy: -66.242992
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -182.463368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.463368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.463368 (E_RNA)
where:
Base-Base interactions energy: -118.479
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.470
local terms energy: -63.513974
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -12.800
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: 469
Temperature: 1.100000
Total energy: -168.392644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.392644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.392644 (E_RNA)
where:
Base-Base interactions energy: -110.131
where: short stacking energy: -57.591
Base-Backbone interact. energy: -0.033
local terms energy: -58.228875
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: 0.031
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -153.958008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.958008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.958008 (E_RNA)
where:
Base-Base interactions energy: -87.437
where: short stacking energy: -52.483
Base-Backbone interact. energy: -0.328
local terms energy: -66.193323
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -5.258
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: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -107.671066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.671066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.671066 (E_RNA)
where:
Base-Base interactions energy: -49.519
where: short stacking energy: -35.436
Base-Backbone interact. energy: -0.042
local terms energy: -58.110358
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -97.713089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.713089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.713089 (E_RNA)
where:
Base-Base interactions energy: -42.100
where: short stacking energy: -39.490
Base-Backbone interact. energy: -0.007
local terms energy: -55.605736
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -83.607532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.607532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.607532 (E_RNA)
where:
Base-Base interactions energy: -31.000
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.245
local terms energy: -52.363074
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -10.941
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: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -70.283738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.283738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.283738 (E_RNA)
where:
Base-Base interactions energy: -12.997
where: short stacking energy: -12.429
Base-Backbone interact. energy: -0.085
local terms energy: -57.201771
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -224.020022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.020022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.020022 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.593
local terms energy: -81.364134
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -215.324439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.324439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.324439 (E_RNA)
where:
Base-Base interactions energy: -139.153
where: short stacking energy: -65.492
Base-Backbone interact. energy: -0.034
local terms energy: -76.137616
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -206.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.881575 (E_RNA)
where:
Base-Base interactions energy: -131.853
where: short stacking energy: -76.182
Base-Backbone interact. energy: -0.001
local terms energy: -75.027396
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -170.049126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.049126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.049126 (E_RNA)
where:
Base-Base interactions energy: -112.799
where: short stacking energy: -58.570
Base-Backbone interact. energy: -1.007
local terms energy: -56.242497
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -9.133
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -13.058
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: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -165.888668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.888668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.888668 (E_RNA)
where:
Base-Base interactions energy: -105.583
where: short stacking energy: -50.932
Base-Backbone interact. energy: -0.360
local terms energy: -59.945742
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -155.683089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.683089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.683089 (E_RNA)
where:
Base-Base interactions energy: -94.567
where: short stacking energy: -51.688
Base-Backbone interact. energy: -0.013
local terms energy: -61.103039
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -131.959231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.959231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.959231 (E_RNA)
where:
Base-Base interactions energy: -78.623
where: short stacking energy: -42.621
Base-Backbone interact. energy: -0.093
local terms energy: -53.242985
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -86.428584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.428584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.428584 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -26.294
Base-Backbone interact. energy: -1.310
local terms energy: -50.248302
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -76.719433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.719433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.719433 (E_RNA)
where:
Base-Base interactions energy: -25.995
where: short stacking energy: -22.415
Base-Backbone interact. energy: -0.077
local terms energy: -50.647382
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -80.149019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.149019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.149019 (E_RNA)
where:
Base-Base interactions energy: -36.404
where: short stacking energy: -22.023
Base-Backbone interact. energy: -0.323
local terms energy: -43.422298
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -7.978
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: 1.330
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: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -208.386615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.386615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.386615 (E_RNA)
where:
Base-Base interactions energy: -126.154
where: short stacking energy: -63.903
Base-Backbone interact. energy: -1.029
local terms energy: -81.203522
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -21.537
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: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -209.282833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.282833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.282833 (E_RNA)
where:
Base-Base interactions energy: -131.074
where: short stacking energy: -75.596
Base-Backbone interact. energy: 1.035
local terms energy: -79.243212
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -9.884
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: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -197.912239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.912239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.912239 (E_RNA)
where:
Base-Base interactions energy: -122.014
where: short stacking energy: -61.695
Base-Backbone interact. energy: -0.005
local terms energy: -75.893702
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -174.070039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.070039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.070039 (E_RNA)
where:
Base-Base interactions energy: -103.637
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.395
local terms energy: -70.038354
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -173.287033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.287033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.287033 (E_RNA)
where:
Base-Base interactions energy: -102.960
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.102
local terms energy: -70.224926
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -138.083453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.083453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.083453 (E_RNA)
where:
Base-Base interactions energy: -75.566
where: short stacking energy: -40.482
Base-Backbone interact. energy: -0.083
local terms energy: -62.434665
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -6.467
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: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -127.256806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.256806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.256806 (E_RNA)
where:
Base-Base interactions energy: -69.707
where: short stacking energy: -39.383
Base-Backbone interact. energy: -0.990
local terms energy: -56.559850
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -97.797696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.797696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.797696 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -41.722
Base-Backbone interact. energy: -1.281
local terms energy: -49.874364
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -8.713
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: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -85.470484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.470484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.470484 (E_RNA)
where:
Base-Base interactions energy: -31.190
where: short stacking energy: -26.485
Base-Backbone interact. energy: -0.656
local terms energy: -53.625175
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -74.246601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.246601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.246601 (E_RNA)
where:
Base-Base interactions energy: -27.566
where: short stacking energy: -27.462
Base-Backbone interact. energy: -0.425
local terms energy: -46.256155
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: 0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -212.486159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.486159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.486159 (E_RNA)
where:
Base-Base interactions energy: -133.381
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.561
local terms energy: -78.544410
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -196.960947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.960947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.960947 (E_RNA)
where:
Base-Base interactions energy: -124.961
where: short stacking energy: -66.556
Base-Backbone interact. energy: -0.561
local terms energy: -71.439718
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -7.064
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: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -203.934989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.934989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.934989 (E_RNA)
where:
Base-Base interactions energy: -134.466
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.353
local terms energy: -69.116112
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -7.108
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: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -173.157039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.157039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.157039 (E_RNA)
where:
Base-Base interactions energy: -102.800
where: short stacking energy: -51.372
Base-Backbone interact. energy: -0.038
local terms energy: -70.318412
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -9.260
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: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -177.078924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.078924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.078924 (E_RNA)
where:
Base-Base interactions energy: -105.157
where: short stacking energy: -48.402
Base-Backbone interact. energy: -0.719
local terms energy: -71.203208
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -154.582401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.582401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.582401 (E_RNA)
where:
Base-Base interactions energy: -93.392
where: short stacking energy: -49.048
Base-Backbone interact. energy: 0.141
local terms energy: -61.331447
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -94.658720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.658720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.658720 (E_RNA)
where:
Base-Base interactions energy: -32.092
where: short stacking energy: -32.092
Base-Backbone interact. energy: 0.343
local terms energy: -62.910666
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -7.881
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: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -94.406306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.406306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.406306 (E_RNA)
where:
Base-Base interactions energy: -46.954
where: short stacking energy: -35.779
Base-Backbone interact. energy: 2.164
local terms energy: -49.616580
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -78.757331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.757331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.757331 (E_RNA)
where:
Base-Base interactions energy: -31.805
where: short stacking energy: -27.760
Base-Backbone interact. energy: -0.167
local terms energy: -46.785313
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -87.249348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.249348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.249348 (E_RNA)
where:
Base-Base interactions energy: -33.073
where: short stacking energy: -30.503
Base-Backbone interact. energy: -0.404
local terms energy: -53.772255
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -214.128363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.128363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.128363 (E_RNA)
where:
Base-Base interactions energy: -141.866
where: short stacking energy: -64.175
Base-Backbone interact. energy: -0.468
local terms energy: -71.794840
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -191.306369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.306369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.306369 (E_RNA)
where:
Base-Base interactions energy: -123.613
where: short stacking energy: -65.947
Base-Backbone interact. energy: -0.353
local terms energy: -67.340372
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -193.714648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.714648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.714648 (E_RNA)
where:
Base-Base interactions energy: -118.508
where: short stacking energy: -64.757
Base-Backbone interact. energy: -0.427
local terms energy: -74.779575
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -171.225427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.225427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.225427 (E_RNA)
where:
Base-Base interactions energy: -107.344
where: short stacking energy: -51.373
Base-Backbone interact. energy: -0.047
local terms energy: -63.834544
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -151.166274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.166274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.166274 (E_RNA)
where:
Base-Base interactions energy: -93.923
where: short stacking energy: -39.756
Base-Backbone interact. energy: -0.083
local terms energy: -57.160329
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -10.973
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: 473
Temperature: 1.150000
Total energy: -152.918421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.918421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.918421 (E_RNA)
where:
Base-Base interactions energy: -84.976
where: short stacking energy: -47.140
Base-Backbone interact. energy: -0.104
local terms energy: -67.838495
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -103.879339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.879339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.879339 (E_RNA)
where:
Base-Base interactions energy: -41.296
where: short stacking energy: -36.749
Base-Backbone interact. energy: -0.086
local terms energy: -62.497111
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -10.300
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: 8, replica: 9
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -88.625915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.625915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.625915 (E_RNA)
where:
Base-Base interactions energy: -38.867
where: short stacking energy: -30.318
Base-Backbone interact. energy: -0.682
local terms energy: -49.076799
where:
bonds (distance) C4'-P energy: -6.175
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -94.413465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.413465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.413465 (E_RNA)
where:
Base-Base interactions energy: -39.196
where: short stacking energy: -39.196
Base-Backbone interact. energy: -0.100
local terms energy: -55.116630
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -74.427893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.427893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.427893 (E_RNA)
where:
Base-Base interactions energy: -28.539
where: short stacking energy: -23.272
Base-Backbone interact. energy: -0.180
local terms energy: -45.708860
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -1.512
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -216.285599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.285599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.285599 (E_RNA)
where:
Base-Base interactions energy: -138.486
where: short stacking energy: -65.169
Base-Backbone interact. energy: 0.007
local terms energy: -77.806449
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -172.027766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.027766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.027766 (E_RNA)
where:
Base-Base interactions energy: -100.888
where: short stacking energy: -41.805
Base-Backbone interact. energy: 0.211
local terms energy: -71.351354
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -205.285248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.285248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.285248 (E_RNA)
where:
Base-Base interactions energy: -131.492
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.040
local terms energy: -73.753342
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -158.589172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.589172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.589172 (E_RNA)
where:
Base-Base interactions energy: -95.353
where: short stacking energy: -51.923
Base-Backbone interact. energy: -0.102
local terms energy: -63.134229
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -166.636989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.636989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.636989 (E_RNA)
where:
Base-Base interactions energy: -101.941
where: short stacking energy: -40.464
Base-Backbone interact. energy: -0.237
local terms energy: -64.459122
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -158.619787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.619787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.619787 (E_RNA)
where:
Base-Base interactions energy: -94.406
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.098
local terms energy: -64.116514
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -100.733213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.733213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.733213 (E_RNA)
where:
Base-Base interactions energy: -46.375
where: short stacking energy: -36.671
Base-Backbone interact. energy: -0.101
local terms energy: -54.256935
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -91.477322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.477322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.477322 (E_RNA)
where:
Base-Base interactions energy: -35.120
where: short stacking energy: -33.091
Base-Backbone interact. energy: -0.103
local terms energy: -56.253673
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -78.981096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.981096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.981096 (E_RNA)
where:
Base-Base interactions energy: -26.100
where: short stacking energy: -25.298
Base-Backbone interact. energy: -1.173
local terms energy: -51.708864
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -78.779065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.779065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.779065 (E_RNA)
where:
Base-Base interactions energy: -33.240
where: short stacking energy: -27.810
Base-Backbone interact. energy: -0.133
local terms energy: -45.406056
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -8.864
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: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -214.554009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.554009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.554009 (E_RNA)
where:
Base-Base interactions energy: -147.471
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.054
local terms energy: -67.029373
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -206.927497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.927497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.927497 (E_RNA)
where:
Base-Base interactions energy: -134.568
where: short stacking energy: -67.244
Base-Backbone interact. energy: -0.001
local terms energy: -72.358056
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -19.602
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: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -190.827428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.827428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.827428 (E_RNA)
where:
Base-Base interactions energy: -116.340
where: short stacking energy: -64.052
Base-Backbone interact. energy: -0.020
local terms energy: -74.466811
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -17.400
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: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -164.540828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.540828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.540828 (E_RNA)
where:
Base-Base interactions energy: -96.243
where: short stacking energy: -47.807
Base-Backbone interact. energy: -0.332
local terms energy: -67.965045
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -171.585526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.585526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.585526 (E_RNA)
where:
Base-Base interactions energy: -101.948
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.026
local terms energy: -69.610912
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -11.041
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: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -156.473678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.473678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.473678 (E_RNA)
where:
Base-Base interactions energy: -92.600
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.027
local terms energy: -63.846655
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -10.011
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: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -97.958559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.958559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.958559 (E_RNA)
where:
Base-Base interactions energy: -45.335
where: short stacking energy: -42.971
Base-Backbone interact. energy: -0.217
local terms energy: -52.407028
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -89.552824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.552824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.552824 (E_RNA)
where:
Base-Base interactions energy: -41.190
where: short stacking energy: -41.005
Base-Backbone interact. energy: -0.136
local terms energy: -48.226404
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -90.679212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.679212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.679212 (E_RNA)
where:
Base-Base interactions energy: -49.686
where: short stacking energy: -27.835
Base-Backbone interact. energy: -0.325
local terms energy: -40.667416
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: 3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -77.812382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.812382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.812382 (E_RNA)
where:
Base-Base interactions energy: -28.003
where: short stacking energy: -25.642
Base-Backbone interact. energy: -0.014
local terms energy: -49.795021
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -8.453
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -3.977
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)
out arg RESULTS//1/D4-179ffdb8_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -213.924495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.924495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.924495 (E_RNA)
where:
Base-Base interactions energy: -138.328
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.092
local terms energy: -75.504373
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -14.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -199.484618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.484618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.484618 (E_RNA)
where:
Base-Base interactions energy: -124.869
where: short stacking energy: -60.412
Base-Backbone interact. energy: -0.276
local terms energy: -74.339735
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -166.059406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.059406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.059406 (E_RNA)
where:
Base-Base interactions energy: -102.213
where: short stacking energy: -58.207
Base-Backbone interact. energy: -0.611
local terms energy: -63.234601
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -183.892122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.892122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.892122 (E_RNA)
where:
Base-Base interactions energy: -108.944
where: short stacking energy: -57.688
Base-Backbone interact. energy: -0.623
local terms energy: -74.325658
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -16.718
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: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -156.465842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.465842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.465842 (E_RNA)
where:
Base-Base interactions energy: -99.382
where: short stacking energy: -44.792
Base-Backbone interact. energy: -1.071
local terms energy: -56.012999
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -147.875954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.875954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.875954 (E_RNA)
where:
Base-Base interactions energy: -96.377
where: short stacking energy: -39.321
Base-Backbone interact. energy: -0.129
local terms energy: -51.370145
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -6.785
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: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -95.560689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.560689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.560689 (E_RNA)
where:
Base-Base interactions energy: -40.699
where: short stacking energy: -36.727
Base-Backbone interact. energy: -0.019
local terms energy: -54.842696
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -5.893
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: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -84.888076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.888076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.888076 (E_RNA)
where:
Base-Base interactions energy: -39.011
where: short stacking energy: -33.302
Base-Backbone interact. energy: -0.111
local terms energy: -45.766643
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -4.689
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: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -84.428883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.428883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.428883 (E_RNA)
where:
Base-Base interactions energy: -35.116
where: short stacking energy: -21.409
Base-Backbone interact. energy: -0.034
local terms energy: -49.279673
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -89.030928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.030928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.030928 (E_RNA)
where:
Base-Base interactions energy: -42.331
where: short stacking energy: -24.599
Base-Backbone interact. energy: -0.153
local terms energy: -46.546535
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -2.309
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -210.258424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.258424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.258424 (E_RNA)
where:
Base-Base interactions energy: -140.575
where: short stacking energy: -62.028
Base-Backbone interact. energy: -0.008
local terms energy: -69.675627
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -203.512805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.512805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.512805 (E_RNA)
where:
Base-Base interactions energy: -130.975
where: short stacking energy: -59.740
Base-Backbone interact. energy: 0.097
local terms energy: -72.634777
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -202.204855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.204855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.204855 (E_RNA)
where:
Base-Base interactions energy: -122.937
where: short stacking energy: -69.911
Base-Backbone interact. energy: -0.029
local terms energy: -79.239574
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -176.007796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.007796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.007796 (E_RNA)
where:
Base-Base interactions energy: -108.773
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.123
local terms energy: -67.111564
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -13.527
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: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -157.866292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.866292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.866292 (E_RNA)
where:
Base-Base interactions energy: -105.091
where: short stacking energy: -50.761
Base-Backbone interact. energy: -0.128
local terms energy: -52.647287
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -143.917732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.917732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.917732 (E_RNA)
where:
Base-Base interactions energy: -82.880
where: short stacking energy: -51.231
Base-Backbone interact. energy: -1.180
local terms energy: -59.856895
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -8.676
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -10.981
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: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -102.149293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.149293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.149293 (E_RNA)
where:
Base-Base interactions energy: -44.893
where: short stacking energy: -27.830
Base-Backbone interact. energy: -0.214
local terms energy: -57.042585
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -91.124388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.124388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.124388 (E_RNA)
where:
Base-Base interactions energy: -39.728
where: short stacking energy: -39.728
Base-Backbone interact. energy: -0.505
local terms energy: -50.890939
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -86.396632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.396632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.396632 (E_RNA)
where:
Base-Base interactions energy: -38.528
where: short stacking energy: -29.744
Base-Backbone interact. energy: -0.161
local terms energy: -47.707187
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -7.836
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: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -81.247237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.247237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.247237 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -25.391
Base-Backbone interact. energy: -1.239
local terms energy: -50.859300
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -9.180
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)