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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/KFDV-97ef3484/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/KFDV-97ef3484/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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: -128.469445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.469445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.469445 (E_RNA)
where:
Base-Base interactions energy: -61.023
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.001
local terms energy: -67.445882
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -147.160467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.160467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.160467 (E_RNA)
where:
Base-Base interactions energy: -74.728
where: short stacking energy: -50.292
Base-Backbone interact. energy: -0.776
local terms energy: -71.656421
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.299
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -126.826824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.826824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.826824 (E_RNA)
where:
Base-Base interactions energy: -58.670
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.004
local terms energy: -68.152817
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -118.601322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.601322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.601322 (E_RNA)
where:
Base-Base interactions energy: -64.126
where: short stacking energy: -34.661
Base-Backbone interact. energy: -1.651
local terms energy: -52.824662
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -102.356001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.356001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.356001 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.096
local terms energy: -57.119263
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -144.652197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.652197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.652197 (E_RNA)
where:
Base-Base interactions energy: -88.484
where: short stacking energy: -44.315
Base-Backbone interact. energy: -0.059
local terms energy: -56.109417
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -7.875
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -91.173232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.173232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.173232 (E_RNA)
where:
Base-Base interactions energy: -31.395
where: short stacking energy: -31.249
Base-Backbone interact. energy: 1.287
local terms energy: -61.065416
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -78.800125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.800125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.800125 (E_RNA)
where:
Base-Base interactions energy: -1.733
where: short stacking energy: -1.733
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -78.800116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.800116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.800116 (E_RNA)
where:
Base-Base interactions energy: -1.733
where: short stacking energy: -1.733
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -78.882317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.882317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.882317 (E_RNA)
where:
Base-Base interactions energy: -32.218
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.192
local terms energy: -46.473159
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -126.800066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.800066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.800066 (E_RNA)
where:
Base-Base interactions energy: -59.094
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.097
local terms energy: -67.609527
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -162.212926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.212926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.212926 (E_RNA)
where:
Base-Base interactions energy: -96.778
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.045
local terms energy: -65.389644
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -122.229726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.229726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.229726 (E_RNA)
where:
Base-Base interactions energy: -59.622
where: short stacking energy: -49.217
Base-Backbone interact. energy: -0.047
local terms energy: -62.561139
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -146.514671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.514671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.514671 (E_RNA)
where:
Base-Base interactions energy: -81.494
where: short stacking energy: -50.653
Base-Backbone interact. energy: -0.979
local terms energy: -64.041663
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -112.188529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.188529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.188529 (E_RNA)
where:
Base-Base interactions energy: -59.696
where: short stacking energy: -36.011
Base-Backbone interact. energy: -0.642
local terms energy: -51.850517
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -160.212680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.212680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.212680 (E_RNA)
where:
Base-Base interactions energy: -98.397
where: short stacking energy: -47.116
Base-Backbone interact. energy: -0.016
local terms energy: -61.799431
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -96.846727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.846727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.846727 (E_RNA)
where:
Base-Base interactions energy: -40.113
where: short stacking energy: -35.000
Base-Backbone interact. energy: -0.101
local terms energy: -56.632894
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -97.988563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.988563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.988563 (E_RNA)
where:
Base-Base interactions energy: -42.694
where: short stacking energy: -35.783
Base-Backbone interact. energy: -0.242
local terms energy: -55.052911
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -88.331963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.331963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.331963 (E_RNA)
where:
Base-Base interactions energy: -41.371
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.113
local terms energy: -46.848532
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -92.762339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.762339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.762339 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.006
local terms energy: -56.779793
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -181.409542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.409542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.409542 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -56.582
Base-Backbone interact. energy: -0.080
local terms energy: -70.183209
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -133.712759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.712759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.712759 (E_RNA)
where:
Base-Base interactions energy: -68.946
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.517
local terms energy: -64.250196
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -142.095261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.095261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.095261 (E_RNA)
where:
Base-Base interactions energy: -77.162
where: short stacking energy: -39.342
Base-Backbone interact. energy: -1.412
local terms energy: -63.521520
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -7.442
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: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -121.299118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.299118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.299118 (E_RNA)
where:
Base-Base interactions energy: -52.323
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.058
local terms energy: -68.917993
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -155.516516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.516516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.516516 (E_RNA)
where:
Base-Base interactions energy: -90.622
where: short stacking energy: -47.678
Base-Backbone interact. energy: -0.076
local terms energy: -64.818478
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -12.174
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: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -108.122873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.122873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.122873 (E_RNA)
where:
Base-Base interactions energy: -52.350
where: short stacking energy: -31.399
Base-Backbone interact. energy: 0.120
local terms energy: -55.892384
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -10.966
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -99.001074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.001074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.001074 (E_RNA)
where:
Base-Base interactions energy: -44.585
where: short stacking energy: -24.928
Base-Backbone interact. energy: -0.894
local terms energy: -53.522677
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -87.414151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.414151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.414151 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -15.817
Base-Backbone interact. energy: -0.693
local terms energy: -51.258416
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -0.910
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -81.873076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.873076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.873076 (E_RNA)
where:
Base-Base interactions energy: -34.728
where: short stacking energy: -15.638
Base-Backbone interact. energy: 4.719
local terms energy: -51.863975
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -91.625987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.625987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.625987 (E_RNA)
where:
Base-Base interactions energy: -34.761
where: short stacking energy: -26.089
Base-Backbone interact. energy: 0.611
local terms energy: -57.476018
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -9.116
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -185.297343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.297343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.297343 (E_RNA)
where:
Base-Base interactions energy: -105.377
where: short stacking energy: -61.102
Base-Backbone interact. energy: -1.194
local terms energy: -78.727090
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -138.067016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.067016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.067016 (E_RNA)
where:
Base-Base interactions energy: -60.325
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.045
local terms energy: -77.696980
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -146.099585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.099585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.099585 (E_RNA)
where:
Base-Base interactions energy: -79.868
where: short stacking energy: -50.249
Base-Backbone interact. energy: -2.700
local terms energy: -63.532339
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -11.659
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: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -159.153646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.153646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.153646 (E_RNA)
where:
Base-Base interactions energy: -94.647
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.002
local terms energy: -64.503855
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -10.655
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: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -110.756033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.756033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.756033 (E_RNA)
where:
Base-Base interactions energy: -44.861
where: short stacking energy: -40.372
Base-Backbone interact. energy: -0.026
local terms energy: -65.868621
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -98.235836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.235836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.235836 (E_RNA)
where:
Base-Base interactions energy: -36.496
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.688
local terms energy: -61.052474
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -5.937
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: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -103.031576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.031576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.031576 (E_RNA)
where:
Base-Base interactions energy: -45.967
where: short stacking energy: -35.341
Base-Backbone interact. energy: -0.203
local terms energy: -56.862368
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -88.123678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.123678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.123678 (E_RNA)
where:
Base-Base interactions energy: -36.281
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.104
local terms energy: -51.738500
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -85.520950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.520950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.520950 (E_RNA)
where:
Base-Base interactions energy: -29.818
where: short stacking energy: -21.837
Base-Backbone interact. energy: -0.067
local terms energy: -55.635602
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -105.584638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.584638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.584638 (E_RNA)
where:
Base-Base interactions energy: -66.714
where: short stacking energy: -27.455
Base-Backbone interact. energy: -0.355
local terms energy: -38.516029
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: 1.553
flat angles P-C4'-P energy: -5.367
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -161.595004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.595004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.595004 (E_RNA)
where:
Base-Base interactions energy: -89.466
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.343
local terms energy: -71.785734
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -12.489
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: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -145.084397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.084397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.084397 (E_RNA)
where:
Base-Base interactions energy: -80.757
where: short stacking energy: -44.952
Base-Backbone interact. energy: -0.985
local terms energy: -63.342364
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -12.427
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: 3, replica: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -172.926717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.926717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.926717 (E_RNA)
where:
Base-Base interactions energy: -109.565
where: short stacking energy: -58.347
Base-Backbone interact. energy: -0.135
local terms energy: -63.226935
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -131.362967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.362967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.362967 (E_RNA)
where:
Base-Base interactions energy: -75.299
where: short stacking energy: -42.502
Base-Backbone interact. energy: -1.284
local terms energy: -54.780824
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -116.207567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.207567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.207567 (E_RNA)
where:
Base-Base interactions energy: -51.275
where: short stacking energy: -47.768
Base-Backbone interact. energy: -0.049
local terms energy: -64.882947
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -109.923453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.923453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.923453 (E_RNA)
where:
Base-Base interactions energy: -49.013
where: short stacking energy: -31.827
Base-Backbone interact. energy: 0.302
local terms energy: -61.212402
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -3.770
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: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -88.900243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.900243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.900243 (E_RNA)
where:
Base-Base interactions energy: -36.205
where: short stacking energy: -34.482
Base-Backbone interact. energy: 0.654
local terms energy: -53.348657
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -100.555070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.555070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.555070 (E_RNA)
where:
Base-Base interactions energy: -45.196
where: short stacking energy: -39.878
Base-Backbone interact. energy: -0.538
local terms energy: -54.821475
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -86.928791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.928791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.928791 (E_RNA)
where:
Base-Base interactions energy: -44.196
where: short stacking energy: -24.123
Base-Backbone interact. energy: -0.400
local terms energy: -42.332742
where:
bonds (distance) C4'-P energy: -6.948
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -75.815250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.815250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.815250 (E_RNA)
where:
Base-Base interactions energy: -26.166
where: short stacking energy: -20.541
Base-Backbone interact. energy: -0.086
local terms energy: -49.562772
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -8.774
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: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -178.001243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.001243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.001243 (E_RNA)
where:
Base-Base interactions energy: -101.163
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.193
local terms energy: -76.645203
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -166.293380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.293380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.293380 (E_RNA)
where:
Base-Base interactions energy: -94.726
where: short stacking energy: -53.709
Base-Backbone interact. energy: -0.565
local terms energy: -71.003017
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -150.651358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.651358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.651358 (E_RNA)
where:
Base-Base interactions energy: -103.046
where: short stacking energy: -30.098
Base-Backbone interact. energy: -1.383
local terms energy: -46.222924
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: 1.676
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: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -136.661085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.661085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.661085 (E_RNA)
where:
Base-Base interactions energy: -76.379
where: short stacking energy: -42.125
Base-Backbone interact. energy: -0.074
local terms energy: -60.207898
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -12.163
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: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -122.380397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.380397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.380397 (E_RNA)
where:
Base-Base interactions energy: -62.991
where: short stacking energy: -43.517
Base-Backbone interact. energy: -0.344
local terms energy: -59.044860
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -91.452233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.452233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.452233 (E_RNA)
where:
Base-Base interactions energy: -40.169
where: short stacking energy: -26.060
Base-Backbone interact. energy: -0.923
local terms energy: -50.359514
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -2.467
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: 7, replica: 3
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -86.739548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739548 (E_RNA)
where:
Base-Base interactions energy: -27.477
where: short stacking energy: -27.477
Base-Backbone interact. energy: -0.720
local terms energy: -58.541965
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -78.139116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.139116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.139116 (E_RNA)
where:
Base-Base interactions energy: -31.312
where: short stacking energy: -21.991
Base-Backbone interact. energy: -0.200
local terms energy: -46.627275
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -2.244
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: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -80.953156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.953156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.953156 (E_RNA)
where:
Base-Base interactions energy: -29.360
where: short stacking energy: -21.103
Base-Backbone interact. energy: -0.429
local terms energy: -51.164122
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -79.632452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.632452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.632452 (E_RNA)
where:
Base-Base interactions energy: -33.864
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.159
local terms energy: -45.609469
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -172.937746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.937746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.937746 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.256
local terms energy: -66.035338
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -169.930137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.930137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.930137 (E_RNA)
where:
Base-Base interactions energy: -97.083
where: short stacking energy: -63.495
Base-Backbone interact. energy: -0.990
local terms energy: -71.856753
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -19.856
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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -123.207771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.207771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.207771 (E_RNA)
where:
Base-Base interactions energy: -60.271
where: short stacking energy: -52.762
Base-Backbone interact. energy: -0.050
local terms energy: -62.887263
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -140.026633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.026633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.026633 (E_RNA)
where:
Base-Base interactions energy: -76.677
where: short stacking energy: -45.900
Base-Backbone interact. energy: -0.014
local terms energy: -63.335950
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -110.772857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.772857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.772857 (E_RNA)
where:
Base-Base interactions energy: -46.342
where: short stacking energy: -46.342
Base-Backbone interact. energy: 1.524
local terms energy: -65.954580
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -101.405456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.405456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.405456 (E_RNA)
where:
Base-Base interactions energy: -50.434
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.101
local terms energy: -50.870493
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -100.176868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.176868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.176868 (E_RNA)
where:
Base-Base interactions energy: -52.307
where: short stacking energy: -35.271
Base-Backbone interact. energy: -0.265
local terms energy: -47.604479
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -6.247
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: 3
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -85.746593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.746593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.746593 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.164
local terms energy: -55.805708
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -83.346758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.346758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.346758 (E_RNA)
where:
Base-Base interactions energy: -36.815
where: short stacking energy: -36.605
Base-Backbone interact. energy: 0.085
local terms energy: -46.617324
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -3.574
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: 10, replica: 5
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -86.622090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.622090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.622090 (E_RNA)
where:
Base-Base interactions energy: -50.913
where: short stacking energy: -27.579
Base-Backbone interact. energy: 1.648
local terms energy: -37.357423
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -8.320
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -180.617192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.617192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.617192 (E_RNA)
where:
Base-Base interactions energy: -103.044
where: short stacking energy: -59.748
Base-Backbone interact. energy: -0.190
local terms energy: -77.383097
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -141.231570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.231570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.231570 (E_RNA)
where:
Base-Base interactions energy: -68.100
where: short stacking energy: -53.955
Base-Backbone interact. energy: -0.084
local terms energy: -73.047193
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -182.891267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.891267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.891267 (E_RNA)
where:
Base-Base interactions energy: -117.659
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.721
local terms energy: -64.510492
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -120.491882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.491882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.491882 (E_RNA)
where:
Base-Base interactions energy: -58.183
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.020
local terms energy: -62.288338
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -103.251803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.251803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.251803 (E_RNA)
where:
Base-Base interactions energy: -47.438
where: short stacking energy: -38.460
Base-Backbone interact. energy: -0.182
local terms energy: -55.632324
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -7.896
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: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -118.026779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.026779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.026779 (E_RNA)
where:
Base-Base interactions energy: -63.341
where: short stacking energy: -31.767
Base-Backbone interact. energy: -0.165
local terms energy: -54.520580
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -3.687
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: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -121.636965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.636965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.636965 (E_RNA)
where:
Base-Base interactions energy: -67.210
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.694
local terms energy: -53.732888
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -127.591115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.591115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.591115 (E_RNA)
where:
Base-Base interactions energy: -70.635
where: short stacking energy: -29.645
Base-Backbone interact. energy: -0.146
local terms energy: -56.809490
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -76.901061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.901061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.901061 (E_RNA)
where:
Base-Base interactions energy: -24.417
where: short stacking energy: -23.599
Base-Backbone interact. energy: 0.112
local terms energy: -52.595546
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -1.718
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: 5
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -79.842246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.842246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.842246 (E_RNA)
where:
Base-Base interactions energy: -42.193
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.043
local terms energy: -37.606815
where:
bonds (distance) C4'-P energy: -4.202
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: 4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -188.245191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.245191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.245191 (E_RNA)
where:
Base-Base interactions energy: -112.023
where: short stacking energy: -57.143
Base-Backbone interact. energy: 0.195
local terms energy: -76.417368
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.410
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: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -152.787000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.787000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.787000 (E_RNA)
where:
Base-Base interactions energy: -87.536
where: short stacking energy: -46.546
Base-Backbone interact. energy: -0.162
local terms energy: -65.089396
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -189.160331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.160331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.160331 (E_RNA)
where:
Base-Base interactions energy: -122.286
where: short stacking energy: -60.485
Base-Backbone interact. energy: -0.115
local terms energy: -66.759327
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -120.652306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.652306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.652306 (E_RNA)
where:
Base-Base interactions energy: -55.329
where: short stacking energy: -46.175
Base-Backbone interact. energy: -0.057
local terms energy: -65.265794
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -135.275434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.275434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.275434 (E_RNA)
where:
Base-Base interactions energy: -80.226
where: short stacking energy: -35.264
Base-Backbone interact. energy: 1.702
local terms energy: -56.752207
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.837
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: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -106.293348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.293348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.293348 (E_RNA)
where:
Base-Base interactions energy: -45.110
where: short stacking energy: -43.610
Base-Backbone interact. energy: -0.020
local terms energy: -61.163172
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -11.540
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: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -146.855467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.855467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.855467 (E_RNA)
where:
Base-Base interactions energy: -98.032
where: short stacking energy: -47.715
Base-Backbone interact. energy: -0.701
local terms energy: -48.122518
where:
bonds (distance) C4'-P energy: -5.708
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -86.933316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933316 (E_RNA)
where:
Base-Base interactions energy: -32.428
where: short stacking energy: -29.578
Base-Backbone interact. energy: -0.036
local terms energy: -54.469016
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -8.345
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -83.161495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161495 (E_RNA)
where:
Base-Base interactions energy: -33.218
where: short stacking energy: -33.218
Base-Backbone interact. energy: -0.025
local terms energy: -49.918785
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -85.492688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.492688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.492688 (E_RNA)
where:
Base-Base interactions energy: -42.154
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.326
local terms energy: -43.012584
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -11.177
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: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -194.142121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.142121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.142121 (E_RNA)
where:
Base-Base interactions energy: -123.943
where: short stacking energy: -62.547
Base-Backbone interact. energy: -0.080
local terms energy: -70.118750
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -194.713824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.713824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.713824 (E_RNA)
where:
Base-Base interactions energy: -125.269
where: short stacking energy: -66.887
Base-Backbone interact. energy: 0.414
local terms energy: -69.858976
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -130.800263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.800263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.800263 (E_RNA)
where:
Base-Base interactions energy: -70.971
where: short stacking energy: -51.764
Base-Backbone interact. energy: -0.031
local terms energy: -59.798826
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -124.834895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.834895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.834895 (E_RNA)
where:
Base-Base interactions energy: -61.699
where: short stacking energy: -36.647
Base-Backbone interact. energy: -0.324
local terms energy: -62.811760
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -109.652011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.652011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.652011 (E_RNA)
where:
Base-Base interactions energy: -44.982
where: short stacking energy: -37.519
Base-Backbone interact. energy: -0.027
local terms energy: -64.642958
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -11.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -146.532053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.532053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.532053 (E_RNA)
where:
Base-Base interactions energy: -89.833
where: short stacking energy: -49.615
Base-Backbone interact. energy: -0.049
local terms energy: -56.649669
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -100.459437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.459437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.459437 (E_RNA)
where:
Base-Base interactions energy: -46.962
where: short stacking energy: -32.994
Base-Backbone interact. energy: -0.552
local terms energy: -52.944840
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -89.320052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.320052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.320052 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.030
local terms energy: -51.418225
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -6.706
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: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -89.447879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.447879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.447879 (E_RNA)
where:
Base-Base interactions energy: -39.944
where: short stacking energy: -28.921
Base-Backbone interact. energy: -0.077
local terms energy: -49.427160
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: 1.822
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: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -83.652718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652718 (E_RNA)
where:
Base-Base interactions energy: -39.626
where: short stacking energy: -22.624
Base-Backbone interact. energy: -0.093
local terms energy: -43.933670
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: 2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -196.759627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.759627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.759627 (E_RNA)
where:
Base-Base interactions energy: -125.959
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.094
local terms energy: -70.706670
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -191.527525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.527525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.527525 (E_RNA)
where:
Base-Base interactions energy: -115.548
where: short stacking energy: -70.070
Base-Backbone interact. energy: -0.009
local terms energy: -75.971050
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -149.637799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.637799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.637799 (E_RNA)
where:
Base-Base interactions energy: -78.155
where: short stacking energy: -50.600
Base-Backbone interact. energy: -0.238
local terms energy: -71.244117
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -125.331044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.331044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.331044 (E_RNA)
where:
Base-Base interactions energy: -71.162
where: short stacking energy: -33.861
Base-Backbone interact. energy: -0.761
local terms energy: -53.408487
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -160.046537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.046537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.046537 (E_RNA)
where:
Base-Base interactions energy: -93.335
where: short stacking energy: -46.063
Base-Backbone interact. energy: -0.049
local terms energy: -66.662286
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -9.542
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: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -115.871762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.871762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.871762 (E_RNA)
where:
Base-Base interactions energy: -61.108
where: short stacking energy: -46.561
Base-Backbone interact. energy: -0.234
local terms energy: -54.529158
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -99.140602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.140602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.140602 (E_RNA)
where:
Base-Base interactions energy: -48.260
where: short stacking energy: -35.564
Base-Backbone interact. energy: -0.194
local terms energy: -50.686644
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -7.278
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -84.926049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.926049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.926049 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.057
local terms energy: -51.500282
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -74.992864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.992864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.992864 (E_RNA)
where:
Base-Base interactions energy: -28.381
where: short stacking energy: -24.560
Base-Backbone interact. energy: 0.400
local terms energy: -47.011846
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -80.370261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.370261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.370261 (E_RNA)
where:
Base-Base interactions energy: -29.989
where: short stacking energy: -29.678
Base-Backbone interact. energy: -1.057
local terms energy: -49.324322
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -198.439646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.439646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.439646 (E_RNA)
where:
Base-Base interactions energy: -124.026
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.004
local terms energy: -74.410112
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -15.785
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: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -197.869652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.869652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.869652 (E_RNA)
where:
Base-Base interactions energy: -122.108
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.063
local terms energy: -75.698458
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -149.005061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.005061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.005061 (E_RNA)
where:
Base-Base interactions energy: -82.127
where: short stacking energy: -43.042
Base-Backbone interact. energy: -0.010
local terms energy: -66.868116
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -13.112
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: 4, replica: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -181.801929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.801929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.801929 (E_RNA)
where:
Base-Base interactions energy: -107.096
where: short stacking energy: -55.190
Base-Backbone interact. energy: -0.012
local terms energy: -74.693732
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -126.443204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.443204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.443204 (E_RNA)
where:
Base-Base interactions energy: -67.028
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.329
local terms energy: -59.086204
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -96.148245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.148245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.148245 (E_RNA)
where:
Base-Base interactions energy: -44.360
where: short stacking energy: -44.360
Base-Backbone interact. energy: -0.016
local terms energy: -51.771965
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -99.482103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.482103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.482103 (E_RNA)
where:
Base-Base interactions energy: -44.840
where: short stacking energy: -41.470
Base-Backbone interact. energy: -0.070
local terms energy: -54.572628
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -131.567322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.567322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.567322 (E_RNA)
where:
Base-Base interactions energy: -78.600
where: short stacking energy: -30.706
Base-Backbone interact. energy: -0.406
local terms energy: -52.561668
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -6.714
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: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -79.735737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.735737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.735737 (E_RNA)
where:
Base-Base interactions energy: -26.668
where: short stacking energy: -22.095
Base-Backbone interact. energy: -0.051
local terms energy: -53.016751
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -2.924
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: 10, replica: 5
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -83.297019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.297019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.297019 (E_RNA)
where:
Base-Base interactions energy: -30.728
where: short stacking energy: -29.959
Base-Backbone interact. energy: -0.098
local terms energy: -52.471895
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -194.660880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.660880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.660880 (E_RNA)
where:
Base-Base interactions energy: -119.468
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.640
local terms energy: -74.552560
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -14.565
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: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -205.357658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.357658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.357658 (E_RNA)
where:
Base-Base interactions energy: -131.018
where: short stacking energy: -67.911
Base-Backbone interact. energy: -0.082
local terms energy: -74.257458
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -180.119883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.119883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.119883 (E_RNA)
where:
Base-Base interactions energy: -110.168
where: short stacking energy: -57.256
Base-Backbone interact. energy: -0.261
local terms energy: -69.690976
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -140.074472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.074472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.074472 (E_RNA)
where:
Base-Base interactions energy: -81.404
where: short stacking energy: -42.182
Base-Backbone interact. energy: -0.311
local terms energy: -58.359499
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -110.946008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.946008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.946008 (E_RNA)
where:
Base-Base interactions energy: -50.668
where: short stacking energy: -38.857
Base-Backbone interact. energy: -0.046
local terms energy: -60.232120
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -10.335
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: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -115.557640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.557640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.557640 (E_RNA)
where:
Base-Base interactions energy: -53.886
where: short stacking energy: -43.496
Base-Backbone interact. energy: -0.216
local terms energy: -61.456294
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -9.868
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: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -150.695115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.695115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.695115 (E_RNA)
where:
Base-Base interactions energy: -92.157
where: short stacking energy: -49.209
Base-Backbone interact. energy: -0.827
local terms energy: -57.710794
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -8.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -86.976892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.976892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.976892 (E_RNA)
where:
Base-Base interactions energy: -32.823
where: short stacking energy: -27.486
Base-Backbone interact. energy: 0.505
local terms energy: -54.658409
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -85.175429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.175429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.175429 (E_RNA)
where:
Base-Base interactions energy: -32.895
where: short stacking energy: -20.407
Base-Backbone interact. energy: -0.476
local terms energy: -51.804431
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -0.597
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: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -74.124367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.124367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.124367 (E_RNA)
where:
Base-Base interactions energy: -29.005
where: short stacking energy: -18.115
Base-Backbone interact. energy: -0.150
local terms energy: -44.970064
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: 2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -178.401868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.401868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.401868 (E_RNA)
where:
Base-Base interactions energy: -103.366
where: short stacking energy: -53.768
Base-Backbone interact. energy: -0.057
local terms energy: -74.978837
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -13.072
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: 2, replica: 10
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -203.938293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.938293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.938293 (E_RNA)
where:
Base-Base interactions energy: -127.219
where: short stacking energy: -73.580
Base-Backbone interact. energy: -0.007
local terms energy: -76.711854
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -192.441875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.441875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.441875 (E_RNA)
where:
Base-Base interactions energy: -125.150
where: short stacking energy: -61.767
Base-Backbone interact. energy: -0.633
local terms energy: -66.658107
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -7.068
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: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -149.388998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.388998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.388998 (E_RNA)
where:
Base-Base interactions energy: -84.819
where: short stacking energy: -52.256
Base-Backbone interact. energy: 0.286
local terms energy: -64.855583
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -109.317241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.317241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.317241 (E_RNA)
where:
Base-Base interactions energy: -43.128
where: short stacking energy: -34.356
Base-Backbone interact. energy: -0.223
local terms energy: -65.965969
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -8.998
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: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -139.030555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.030555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.030555 (E_RNA)
where:
Base-Base interactions energy: -76.680
where: short stacking energy: -37.878
Base-Backbone interact. energy: -0.098
local terms energy: -62.253133
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -93.336732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.336732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.336732 (E_RNA)
where:
Base-Base interactions energy: -44.184
where: short stacking energy: -33.838
Base-Backbone interact. energy: -0.040
local terms energy: -49.112955
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -111.357171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.357171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.357171 (E_RNA)
where:
Base-Base interactions energy: -59.667
where: short stacking energy: -31.768
Base-Backbone interact. energy: -0.299
local terms energy: -51.391404
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: 0.369
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: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -84.379458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.379458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.379458 (E_RNA)
where:
Base-Base interactions energy: -41.162
where: short stacking energy: -40.254
Base-Backbone interact. energy: -0.213
local terms energy: -43.004765
where:
bonds (distance) C4'-P energy: -7.301
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -0.109
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: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -72.254807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.254807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.254807 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.177
local terms energy: -38.683618
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: 4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -195.562290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.562290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.562290 (E_RNA)
where:
Base-Base interactions energy: -120.034
where: short stacking energy: -71.660
Base-Backbone interact. energy: -0.329
local terms energy: -75.200005
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -10.613
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: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -182.069009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.069009 (E_RNA)
where:
Base-Base interactions energy: -114.765
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.321
local terms energy: -66.982676
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -182.979417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.979417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.979417 (E_RNA)
where:
Base-Base interactions energy: -109.156
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.140
local terms energy: -73.682780
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -11.067
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: 16
Temperature: 1.050000
Total energy: -156.720857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.720857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.720857 (E_RNA)
where:
Base-Base interactions energy: -91.982
where: short stacking energy: -42.300
Base-Backbone interact. energy: -0.394
local terms energy: -64.344601
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -150.628175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.628175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.628175 (E_RNA)
where:
Base-Base interactions energy: -93.947
where: short stacking energy: -37.993
Base-Backbone interact. energy: 0.217
local terms energy: -56.898178
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -111.967925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.967925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.967925 (E_RNA)
where:
Base-Base interactions energy: -51.260
where: short stacking energy: -29.122
Base-Backbone interact. energy: -0.128
local terms energy: -60.580179
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -102.988200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.988200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.988200 (E_RNA)
where:
Base-Base interactions energy: -50.682
where: short stacking energy: -32.135
Base-Backbone interact. energy: 0.094
local terms energy: -52.400725
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -10.805
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: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -81.698868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.698868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.698868 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -29.150
Base-Backbone interact. energy: -0.277
local terms energy: -48.655816
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -82.763355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.763355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.763355 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -33.651
Base-Backbone interact. energy: -0.087
local terms energy: -49.024537
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -8.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -84.258812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.258812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.258812 (E_RNA)
where:
Base-Base interactions energy: -33.719
where: short stacking energy: -10.588
Base-Backbone interact. energy: -1.214
local terms energy: -49.326095
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -191.575566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.575566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.575566 (E_RNA)
where:
Base-Base interactions energy: -116.335
where: short stacking energy: -66.540
Base-Backbone interact. energy: -0.462
local terms energy: -74.778989
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -190.099802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.099802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.099802 (E_RNA)
where:
Base-Base interactions energy: -115.660
where: short stacking energy: -64.106
Base-Backbone interact. energy: -0.543
local terms energy: -73.896448
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -167.861759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.861759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.861759 (E_RNA)
where:
Base-Base interactions energy: -101.314
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.396
local terms energy: -66.151593
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -11.788
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: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -187.952167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.952167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.952167 (E_RNA)
where:
Base-Base interactions energy: -121.721
where: short stacking energy: -53.072
Base-Backbone interact. energy: -0.295
local terms energy: -65.935191
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -159.928408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.928408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.928408 (E_RNA)
where:
Base-Base interactions energy: -96.406
where: short stacking energy: -45.721
Base-Backbone interact. energy: -0.277
local terms energy: -63.245153
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -130.359536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.359536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.359536 (E_RNA)
where:
Base-Base interactions energy: -77.794
where: short stacking energy: -43.105
Base-Backbone interact. energy: -0.162
local terms energy: -52.403802
where:
bonds (distance) C4'-P energy: -6.972
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -106.515768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.515768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.515768 (E_RNA)
where:
Base-Base interactions energy: -46.509
where: short stacking energy: -34.000
Base-Backbone interact. energy: 0.147
local terms energy: -60.154023
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -8.847
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: 8, replica: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -97.543184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.543184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.543184 (E_RNA)
where:
Base-Base interactions energy: -43.674
where: short stacking energy: -38.547
Base-Backbone interact. energy: -0.013
local terms energy: -53.856787
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -1.802
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -79.748081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.748081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.748081 (E_RNA)
where:
Base-Base interactions energy: -24.334
where: short stacking energy: -21.596
Base-Backbone interact. energy: -0.018
local terms energy: -55.396239
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -77.640042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.640042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.640042 (E_RNA)
where:
Base-Base interactions energy: -23.783
where: short stacking energy: -23.700
Base-Backbone interact. energy: -0.186
local terms energy: -53.671041
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -200.391908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.391908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.391908 (E_RNA)
where:
Base-Base interactions energy: -123.260
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.431
local terms energy: -76.701071
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -183.734887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.734887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.734887 (E_RNA)
where:
Base-Base interactions energy: -115.368
where: short stacking energy: -63.290
Base-Backbone interact. energy: -1.001
local terms energy: -67.366001
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -203.687378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.687378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.687378 (E_RNA)
where:
Base-Base interactions energy: -138.384
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.304
local terms energy: -64.999538
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -167.130623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.130623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.130623 (E_RNA)
where:
Base-Base interactions energy: -103.340
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.591
local terms energy: -63.199746
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -11.483
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: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -125.047146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.047146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.047146 (E_RNA)
where:
Base-Base interactions energy: -69.666
where: short stacking energy: -40.278
Base-Backbone interact. energy: -0.077
local terms energy: -55.304211
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -123.250491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.250491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.250491 (E_RNA)
where:
Base-Base interactions energy: -61.266
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.181
local terms energy: -61.804093
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -90.814037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.814037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.814037 (E_RNA)
where:
Base-Base interactions energy: -42.942
where: short stacking energy: -32.166
Base-Backbone interact. energy: -0.094
local terms energy: -47.777839
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -7.376
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -85.813572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.813572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.813572 (E_RNA)
where:
Base-Base interactions energy: -29.881
where: short stacking energy: -27.763
Base-Backbone interact. energy: -0.069
local terms energy: -55.863993
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -99.829614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.829614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.829614 (E_RNA)
where:
Base-Base interactions energy: -48.140
where: short stacking energy: -25.530
Base-Backbone interact. energy: 0.415
local terms energy: -52.105347
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -74.371311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.371311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.371311 (E_RNA)
where:
Base-Base interactions energy: -28.639
where: short stacking energy: -19.692
Base-Backbone interact. energy: 1.728
local terms energy: -47.460851
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -5.911
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: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -200.390015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.390015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.390015 (E_RNA)
where:
Base-Base interactions energy: -133.116
where: short stacking energy: -62.260
Base-Backbone interact. energy: -0.892
local terms energy: -66.381937
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -2.416
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -186.149786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.149786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.149786 (E_RNA)
where:
Base-Base interactions energy: -123.340
where: short stacking energy: -54.441
Base-Backbone interact. energy: -2.358
local terms energy: -60.452268
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -12.857
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: 8
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -198.963304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.963304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.963304 (E_RNA)
where:
Base-Base interactions energy: -130.786
where: short stacking energy: -53.655
Base-Backbone interact. energy: -0.964
local terms energy: -67.213526
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -163.652955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.652955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.652955 (E_RNA)
where:
Base-Base interactions energy: -99.368
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.245
local terms energy: -64.040757
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -9.486
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: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -95.404230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.404230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.404230 (E_RNA)
where:
Base-Base interactions energy: -32.792
where: short stacking energy: -33.692
Base-Backbone interact. energy: -1.046
local terms energy: -61.565931
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -109.198576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.198576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.198576 (E_RNA)
where:
Base-Base interactions energy: -63.538
where: short stacking energy: -34.472
Base-Backbone interact. energy: 2.750
local terms energy: -48.410566
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -91.502114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.502114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.502114 (E_RNA)
where:
Base-Base interactions energy: -42.501
where: short stacking energy: -27.544
Base-Backbone interact. energy: -0.088
local terms energy: -48.912506
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -4.740
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: 1
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -98.323065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.323065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.323065 (E_RNA)
where:
Base-Base interactions energy: -44.938
where: short stacking energy: -39.500
Base-Backbone interact. energy: -0.143
local terms energy: -53.242117
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -4.376
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: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -78.788034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.788034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.788034 (E_RNA)
where:
Base-Base interactions energy: -29.632
where: short stacking energy: -23.218
Base-Backbone interact. energy: -0.046
local terms energy: -49.110098
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -78.384561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.384561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.384561 (E_RNA)
where:
Base-Base interactions energy: -26.897
where: short stacking energy: -26.897
Base-Backbone interact. energy: -0.252
local terms energy: -51.235941
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.262
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: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -194.512037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.512037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.512037 (E_RNA)
where:
Base-Base interactions energy: -127.174
where: short stacking energy: -50.256
Base-Backbone interact. energy: -0.593
local terms energy: -66.745482
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -197.327543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.327543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.327543 (E_RNA)
where:
Base-Base interactions energy: -125.443
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.066
local terms energy: -71.818388
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -219.460076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.460076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.460076 (E_RNA)
where:
Base-Base interactions energy: -141.778
where: short stacking energy: -66.206
Base-Backbone interact. energy: -1.600
local terms energy: -76.081648
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -21.205
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: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -173.579301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.579301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.579301 (E_RNA)
where:
Base-Base interactions energy: -106.918
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.038
local terms energy: -66.623725
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -106.932116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.932116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.932116 (E_RNA)
where:
Base-Base interactions energy: -50.685
where: short stacking energy: -46.459
Base-Backbone interact. energy: -0.027
local terms energy: -56.219714
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.210
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: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -99.425961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.425961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.425961 (E_RNA)
where:
Base-Base interactions energy: -44.828
where: short stacking energy: -36.118
Base-Backbone interact. energy: -0.005
local terms energy: -54.592430
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -7.292
flat angles P-C4'-P energy: -10.317
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: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -98.046760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.046760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.046760 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -36.894
Base-Backbone interact. energy: -0.354
local terms energy: -59.683530
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -90.064044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.064044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.064044 (E_RNA)
where:
Base-Base interactions energy: -32.378
where: short stacking energy: -32.378
Base-Backbone interact. energy: -0.221
local terms energy: -57.465186
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -79.739528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.739528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.739528 (E_RNA)
where:
Base-Base interactions energy: -30.037
where: short stacking energy: -30.037
Base-Backbone interact. energy: -0.260
local terms energy: -49.442430
where:
bonds (distance) C4'-P energy: -7.523
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -80.743931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.743931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.743931 (E_RNA)
where:
Base-Base interactions energy: -43.148
where: short stacking energy: -28.939
Base-Backbone interact. energy: -0.176
local terms energy: -37.419552
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -3.341
flat angles P-C4'-P energy: -8.381
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: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -214.382602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.382602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.382602 (E_RNA)
where:
Base-Base interactions energy: -140.842
where: short stacking energy: -52.363
Base-Backbone interact. energy: -1.159
local terms energy: -72.381321
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -218.610734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.610734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.610734 (E_RNA)
where:
Base-Base interactions energy: -145.610
where: short stacking energy: -74.886
Base-Backbone interact. energy: -0.003
local terms energy: -72.997832
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.925
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: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -192.421045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.421045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.421045 (E_RNA)
where:
Base-Base interactions energy: -121.079
where: short stacking energy: -64.879
Base-Backbone interact. energy: 0.416
local terms energy: -71.758790
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -164.746362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.746362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.746362 (E_RNA)
where:
Base-Base interactions energy: -95.804
where: short stacking energy: -55.756
Base-Backbone interact. energy: 0.501
local terms energy: -69.443124
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -17.413
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: 21
Temperature: 1.100000
Total energy: -145.936592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.936592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.936592 (E_RNA)
where:
Base-Base interactions energy: -90.495
where: short stacking energy: -43.837
Base-Backbone interact. energy: -1.161
local terms energy: -54.279987
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -6.773
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: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -129.019913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.019913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.019913 (E_RNA)
where:
Base-Base interactions energy: -85.902
where: short stacking energy: -32.323
Base-Backbone interact. energy: -0.242
local terms energy: -42.875653
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -93.965589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.965589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.965589 (E_RNA)
where:
Base-Base interactions energy: -33.719
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.032
local terms energy: -60.214740
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -8.167
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: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -81.191442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.191442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.191442 (E_RNA)
where:
Base-Base interactions energy: -41.344
where: short stacking energy: -29.334
Base-Backbone interact. energy: 0.913
local terms energy: -40.760815
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -1.934
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -87.541922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.541922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.541922 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -39.417
Base-Backbone interact. energy: -0.289
local terms energy: -47.357470
where:
bonds (distance) C4'-P energy: -7.791
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -5.191
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: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -83.791349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.791349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.791349 (E_RNA)
where:
Base-Base interactions energy: -42.918
where: short stacking energy: -22.325
Base-Backbone interact. energy: -1.246
local terms energy: -39.627289
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: 3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -219.933852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.933852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.933852 (E_RNA)
where:
Base-Base interactions energy: -143.750
where: short stacking energy: -68.010
Base-Backbone interact. energy: -0.304
local terms energy: -75.880483
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.332
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: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -191.964143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.964143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.964143 (E_RNA)
where:
Base-Base interactions energy: -125.814
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.083
local terms energy: -66.067498
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -196.946105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.946105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.946105 (E_RNA)
where:
Base-Base interactions energy: -127.366
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.114
local terms energy: -69.465880
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -180.239755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.239755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.239755 (E_RNA)
where:
Base-Base interactions energy: -109.544
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.006
local terms energy: -70.689443
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -173.259068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.259068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.259068 (E_RNA)
where:
Base-Base interactions energy: -109.152
where: short stacking energy: -48.541
Base-Backbone interact. energy: -0.301
local terms energy: -63.805191
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -12.593
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: 22
Temperature: 1.150000
Total energy: -119.257408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.257408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.257408 (E_RNA)
where:
Base-Base interactions energy: -59.563
where: short stacking energy: -43.065
Base-Backbone interact. energy: -0.070
local terms energy: -59.624562
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -7.164
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: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -117.545520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.545520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.545520 (E_RNA)
where:
Base-Base interactions energy: -54.485
where: short stacking energy: -40.889
Base-Backbone interact. energy: 0.600
local terms energy: -63.661029
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -97.265393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.265393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.265393 (E_RNA)
where:
Base-Base interactions energy: -46.538
where: short stacking energy: -36.768
Base-Backbone interact. energy: -0.102
local terms energy: -50.626018
where:
bonds (distance) C4'-P energy: -4.868
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -81.703169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.703169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.703169 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.070
local terms energy: -45.545529
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -7.028
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: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -66.862119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.862119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.862119 (E_RNA)
where:
Base-Base interactions energy: -22.814
where: short stacking energy: -22.627
Base-Backbone interact. energy: -0.323
local terms energy: -43.725642
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: 0.761
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: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -218.832794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.832794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.832794 (E_RNA)
where:
Base-Base interactions energy: -144.181
where: short stacking energy: -61.919
Base-Backbone interact. energy: -0.005
local terms energy: -74.646986
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -7.684
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: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -197.568781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.568781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.568781 (E_RNA)
where:
Base-Base interactions energy: -123.686
where: short stacking energy: -62.162
Base-Backbone interact. energy: -0.941
local terms energy: -72.940916
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -192.268944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.268944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.268944 (E_RNA)
where:
Base-Base interactions energy: -117.638
where: short stacking energy: -66.400
Base-Backbone interact. energy: -1.803
local terms energy: -72.828371
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -22.410
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: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -186.760816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.760816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.760816 (E_RNA)
where:
Base-Base interactions energy: -118.758
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.005
local terms energy: -67.997623
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -169.498226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.498226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.498226 (E_RNA)
where:
Base-Base interactions energy: -113.669
where: short stacking energy: -45.583
Base-Backbone interact. energy: -0.202
local terms energy: -55.627847
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -102.743086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.743086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.743086 (E_RNA)
where:
Base-Base interactions energy: -42.724
where: short stacking energy: -43.011
Base-Backbone interact. energy: -0.002
local terms energy: -60.016899
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -12.672
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: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -94.195636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.195636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.195636 (E_RNA)
where:
Base-Base interactions energy: -48.035
where: short stacking energy: -27.724
Base-Backbone interact. energy: -0.081
local terms energy: -46.079738
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -2.579
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: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -88.818346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.818346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.818346 (E_RNA)
where:
Base-Base interactions energy: -30.653
where: short stacking energy: -24.511
Base-Backbone interact. energy: -0.243
local terms energy: -57.923295
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -86.263374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.263374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.263374 (E_RNA)
where:
Base-Base interactions energy: -39.961
where: short stacking energy: -38.878
Base-Backbone interact. energy: -0.002
local terms energy: -46.299921
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -6.643
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: 10, replica: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -78.559168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.559168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.559168 (E_RNA)
where:
Base-Base interactions energy: -33.072
where: short stacking energy: -32.186
Base-Backbone interact. energy: -0.410
local terms energy: -45.077054
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -6.154
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: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -218.168588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.168588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.168588 (E_RNA)
where:
Base-Base interactions energy: -144.399
where: short stacking energy: -66.495
Base-Backbone interact. energy: -0.001
local terms energy: -73.768624
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -197.533209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.533209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.533209 (E_RNA)
where:
Base-Base interactions energy: -123.472
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.787
local terms energy: -73.274617
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -201.897747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.897747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.897747 (E_RNA)
where:
Base-Base interactions energy: -122.897
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.416
local terms energy: -78.584996
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -183.050810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.050810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.050810 (E_RNA)
where:
Base-Base interactions energy: -110.536
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.092
local terms energy: -72.423052
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -11.050
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: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -102.664517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.664517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.664517 (E_RNA)
where:
Base-Base interactions energy: -49.275
where: short stacking energy: -39.578
Base-Backbone interact. energy: -0.072
local terms energy: -53.317964
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -3.571
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: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -151.990486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.990486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.990486 (E_RNA)
where:
Base-Base interactions energy: -88.492
where: short stacking energy: -44.399
Base-Backbone interact. energy: -0.087
local terms energy: -63.411523
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -11.937
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: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -99.709061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.709061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.709061 (E_RNA)
where:
Base-Base interactions energy: -49.245
where: short stacking energy: -35.065
Base-Backbone interact. energy: -0.085
local terms energy: -50.378697
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -88.644616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.644616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.644616 (E_RNA)
where:
Base-Base interactions energy: -35.169
where: short stacking energy: -32.812
Base-Backbone interact. energy: -0.172
local terms energy: -53.303503
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -5.562
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: 3
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -92.781090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.781090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.781090 (E_RNA)
where:
Base-Base interactions energy: -38.043
where: short stacking energy: -21.902
Base-Backbone interact. energy: -0.211
local terms energy: -54.527109
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -10.372
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: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -83.405989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.405989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.405989 (E_RNA)
where:
Base-Base interactions energy: -35.289
where: short stacking energy: -35.289
Base-Backbone interact. energy: -0.046
local terms energy: -48.071010
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -3.700
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: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -217.575581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.575581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.575581 (E_RNA)
where:
Base-Base interactions energy: -143.790
where: short stacking energy: -71.877
Base-Backbone interact. energy: -0.004
local terms energy: -73.782300
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -203.322319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.322319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.322319 (E_RNA)
where:
Base-Base interactions energy: -123.306
where: short stacking energy: -73.219
Base-Backbone interact. energy: -0.121
local terms energy: -79.895392
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -192.948374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.948374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.948374 (E_RNA)
where:
Base-Base interactions energy: -122.659
where: short stacking energy: -59.283
Base-Backbone interact. energy: -0.243
local terms energy: -70.045776
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -190.685853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.685853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.685853 (E_RNA)
where:
Base-Base interactions energy: -125.691
where: short stacking energy: -61.026
Base-Backbone interact. energy: 0.222
local terms energy: -65.216286
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -16.285
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: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -102.302669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.302669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.302669 (E_RNA)
where:
Base-Base interactions energy: -36.813
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.110
local terms energy: -65.379201
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -8.982
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: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -164.850452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.850452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.850452 (E_RNA)
where:
Base-Base interactions energy: -109.584
where: short stacking energy: -39.768
Base-Backbone interact. energy: -0.416
local terms energy: -54.850913
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -91.685242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.685242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.685242 (E_RNA)
where:
Base-Base interactions energy: -40.694
where: short stacking energy: -38.158
Base-Backbone interact. energy: -0.096
local terms energy: -50.894908
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -8.489
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -86.706674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.706674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.706674 (E_RNA)
where:
Base-Base interactions energy: -34.572
where: short stacking energy: -32.731
Base-Backbone interact. energy: -0.036
local terms energy: -52.098835
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -83.199176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.199176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.199176 (E_RNA)
where:
Base-Base interactions energy: -33.388
where: short stacking energy: -20.613
Base-Backbone interact. energy: -0.191
local terms energy: -49.619274
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -86.770287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.770287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.770287 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -28.461
Base-Backbone interact. energy: 0.678
local terms energy: -53.138883
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -8.059
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: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -221.512213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.512213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.512213 (E_RNA)
where:
Base-Base interactions energy: -142.314
where: short stacking energy: -67.124
Base-Backbone interact. energy: 0.690
local terms energy: -79.888127
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -202.465367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.465367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.465367 (E_RNA)
where:
Base-Base interactions energy: -124.825
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.959
local terms energy: -76.681251
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -183.020481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.020481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.020481 (E_RNA)
where:
Base-Base interactions energy: -112.038
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.507
local terms energy: -70.475874
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -13.416
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: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -182.666144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.666144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.666144 (E_RNA)
where:
Base-Base interactions energy: -111.893
where: short stacking energy: -68.751
Base-Backbone interact. energy: -0.468
local terms energy: -70.304964
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -8.306
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -187.105936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.105936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.105936 (E_RNA)
where:
Base-Base interactions energy: -123.123
where: short stacking energy: -60.161
Base-Backbone interact. energy: -0.005
local terms energy: -63.978001
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -95.320415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.320415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.320415 (E_RNA)
where:
Base-Base interactions energy: -40.778
where: short stacking energy: -29.336
Base-Backbone interact. energy: -0.095
local terms energy: -54.446766
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -91.134091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.134091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.134091 (E_RNA)
where:
Base-Base interactions energy: -34.564
where: short stacking energy: -34.564
Base-Backbone interact. energy: -0.074
local terms energy: -56.496060
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -91.351156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.351156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.351156 (E_RNA)
where:
Base-Base interactions energy: -42.363
where: short stacking energy: -31.858
Base-Backbone interact. energy: -0.178
local terms energy: -48.809769
where:
bonds (distance) C4'-P energy: -4.924
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -76.945461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.945461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.945461 (E_RNA)
where:
Base-Base interactions energy: -26.238
where: short stacking energy: -26.238
Base-Backbone interact. energy: 0.412
local terms energy: -51.119458
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -79.006209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.006209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.006209 (E_RNA)
where:
Base-Base interactions energy: -36.519
where: short stacking energy: -28.740
Base-Backbone interact. energy: -0.095
local terms energy: -42.391738
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -1.877
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: 1, replica: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -222.588825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.588825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.588825 (E_RNA)
where:
Base-Base interactions energy: -139.043
where: short stacking energy: -68.293
Base-Backbone interact. energy: -1.015
local terms energy: -82.530239
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -21.376
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: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -175.701817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.701817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.701817 (E_RNA)
where:
Base-Base interactions energy: -104.739
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.192
local terms energy: -70.770443
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -12.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -187.000231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.000231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.000231 (E_RNA)
where:
Base-Base interactions energy: -118.880
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.074
local terms energy: -68.047143
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -199.338791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.338791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.338791 (E_RNA)
where:
Base-Base interactions energy: -127.135
where: short stacking energy: -60.709
Base-Backbone interact. energy: -0.027
local terms energy: -72.176892
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -174.813556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.813556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.813556 (E_RNA)
where:
Base-Base interactions energy: -104.186
where: short stacking energy: -53.139
Base-Backbone interact. energy: -0.005
local terms energy: -70.622535
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -13.783
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: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -109.859383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.859383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.859383 (E_RNA)
where:
Base-Base interactions energy: -64.554
where: short stacking energy: -30.967
Base-Backbone interact. energy: -1.804
local terms energy: -43.501286
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -5.372
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -95.188964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.188964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.188964 (E_RNA)
where:
Base-Base interactions energy: -44.061
where: short stacking energy: -44.061
Base-Backbone interact. energy: -0.114
local terms energy: -51.014560
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -97.319188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.319188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.319188 (E_RNA)
where:
Base-Base interactions energy: -39.210
where: short stacking energy: -39.210
Base-Backbone interact. energy: 0.498
local terms energy: -58.607079
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -83.326414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.326414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.326414 (E_RNA)
where:
Base-Base interactions energy: -27.982
where: short stacking energy: -20.187
Base-Backbone interact. energy: -0.085
local terms energy: -55.258569
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -8.147
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -75.273788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.273788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.273788 (E_RNA)
where:
Base-Base interactions energy: -26.429
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.008
local terms energy: -48.836844
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: 0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -215.476977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.476977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.476977 (E_RNA)
where:
Base-Base interactions energy: -140.542
where: short stacking energy: -75.621
Base-Backbone interact. energy: -0.459
local terms energy: -74.476384
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -176.558747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.558747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.558747 (E_RNA)
where:
Base-Base interactions energy: -111.561
where: short stacking energy: -58.605
Base-Backbone interact. energy: -1.121
local terms energy: -63.876572
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -198.055317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.055317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.055317 (E_RNA)
where:
Base-Base interactions energy: -127.233
where: short stacking energy: -67.089
Base-Backbone interact. energy: -0.007
local terms energy: -70.815437
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -184.694460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.694460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.694460 (E_RNA)
where:
Base-Base interactions energy: -120.004
where: short stacking energy: -56.205
Base-Backbone interact. energy: -0.289
local terms energy: -64.401507
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -166.464681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.464681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.464681 (E_RNA)
where:
Base-Base interactions energy: -100.589
where: short stacking energy: -49.111
Base-Backbone interact. energy: -0.046
local terms energy: -65.829805
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -11.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -123.651840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.651840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.651840 (E_RNA)
where:
Base-Base interactions energy: -65.733
where: short stacking energy: -41.741
Base-Backbone interact. energy: -0.076
local terms energy: -57.842438
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -96.695507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.695507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.695507 (E_RNA)
where:
Base-Base interactions energy: -45.965
where: short stacking energy: -28.622
Base-Backbone interact. energy: 1.311
local terms energy: -52.041668
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -100.349742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.349742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.349742 (E_RNA)
where:
Base-Base interactions energy: -43.120
where: short stacking energy: -43.120
Base-Backbone interact. energy: -0.009
local terms energy: -57.221271
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -5.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -80.735567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.735567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.735567 (E_RNA)
where:
Base-Base interactions energy: -39.259
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.247
local terms energy: -41.229833
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: 2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -73.784078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.784078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.784078 (E_RNA)
where:
Base-Base interactions energy: -34.216
where: short stacking energy: -18.509
Base-Backbone interact. energy: -0.315
local terms energy: -39.253008
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: 3.687
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: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -214.378578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.378578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.378578 (E_RNA)
where:
Base-Base interactions energy: -137.621
where: short stacking energy: -63.695
Base-Backbone interact. energy: -0.026
local terms energy: -76.731618
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -196.291840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.291840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.291840 (E_RNA)
where:
Base-Base interactions energy: -123.687
where: short stacking energy: -73.118
Base-Backbone interact. energy: -0.087
local terms energy: -72.517884
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -165.207827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.207827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.207827 (E_RNA)
where:
Base-Base interactions energy: -99.245
where: short stacking energy: -63.558
Base-Backbone interact. energy: -0.043
local terms energy: -65.919578
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -11.346
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: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -201.745127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.745127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.745127 (E_RNA)
where:
Base-Base interactions energy: -134.336
where: short stacking energy: -53.154
Base-Backbone interact. energy: -0.128
local terms energy: -67.281959
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -174.240504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.240504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.240504 (E_RNA)
where:
Base-Base interactions energy: -106.095
where: short stacking energy: -51.573
Base-Backbone interact. energy: -0.268
local terms energy: -67.877628
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -13.439
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: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -98.822905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.822905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.822905 (E_RNA)
where:
Base-Base interactions energy: -46.786
where: short stacking energy: -34.409
Base-Backbone interact. energy: 0.022
local terms energy: -52.059212
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -109.305339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.305339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.305339 (E_RNA)
where:
Base-Base interactions energy: -57.389
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.169
local terms energy: -51.747846
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -88.128737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128737 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -35.892
Base-Backbone interact. energy: -0.099
local terms energy: -52.138312
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -78.891682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.891682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.891682 (E_RNA)
where:
Base-Base interactions energy: -31.027
where: short stacking energy: -30.250
Base-Backbone interact. energy: -0.542
local terms energy: -47.322318
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -85.634662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.634662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.634662 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -14.648
Base-Backbone interact. energy: 0.824
local terms energy: -56.110307
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -4.395
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: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -203.580631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.580631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.580631 (E_RNA)
where:
Base-Base interactions energy: -130.451
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.283
local terms energy: -72.846554
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -215.786376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.786376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.786376 (E_RNA)
where:
Base-Base interactions energy: -139.078
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.449
local terms energy: -76.259347
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -205.902572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.902572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.902572 (E_RNA)
where:
Base-Base interactions energy: -135.589
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.090
local terms energy: -70.223757
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -12.363
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: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -157.194836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.194836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.194836 (E_RNA)
where:
Base-Base interactions energy: -93.178
where: short stacking energy: -50.914
Base-Backbone interact. energy: -0.964
local terms energy: -63.053581
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -10.605
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: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -165.996551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.996551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.996551 (E_RNA)
where:
Base-Base interactions energy: -96.320
where: short stacking energy: -50.033
Base-Backbone interact. energy: -1.104
local terms energy: -68.572349
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -5.992
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: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -101.423888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.423888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.423888 (E_RNA)
where:
Base-Base interactions energy: -38.163
where: short stacking energy: -31.922
Base-Backbone interact. energy: -0.014
local terms energy: -63.246314
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -87.707482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.707482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.707482 (E_RNA)
where:
Base-Base interactions energy: -37.216
where: short stacking energy: -33.823
Base-Backbone interact. energy: -0.126
local terms energy: -50.365412
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -4.208
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: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -92.124828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.124828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.124828 (E_RNA)
where:
Base-Base interactions energy: -36.441
where: short stacking energy: -33.941
Base-Backbone interact. energy: -0.016
local terms energy: -55.667625
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -86.140473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.140473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.140473 (E_RNA)
where:
Base-Base interactions energy: -38.903
where: short stacking energy: -35.298
Base-Backbone interact. energy: -2.043
local terms energy: -45.194769
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -9.494
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: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -83.755245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.755245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.755245 (E_RNA)
where:
Base-Base interactions energy: -29.157
where: short stacking energy: -26.081
Base-Backbone interact. energy: 2.699
local terms energy: -57.297385
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -200.362996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.362996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.362996 (E_RNA)
where:
Base-Base interactions energy: -124.475
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.605
local terms energy: -75.282186
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -13.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -216.249219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.249219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.249219 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.483
local terms energy: -72.491030
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -218.754738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.754738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.754738 (E_RNA)
where:
Base-Base interactions energy: -139.954
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.001
local terms energy: -78.800236
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -21.581
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: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -168.696424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.696424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.696424 (E_RNA)
where:
Base-Base interactions energy: -116.614
where: short stacking energy: -52.042
Base-Backbone interact. energy: -0.188
local terms energy: -51.895173
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -7.730
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -158.951477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.951477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.951477 (E_RNA)
where:
Base-Base interactions energy: -102.087
where: short stacking energy: -52.296
Base-Backbone interact. energy: -0.127
local terms energy: -56.737215
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: -12.331
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: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -113.616954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.616954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.616954 (E_RNA)
where:
Base-Base interactions energy: -52.803
where: short stacking energy: -37.182
Base-Backbone interact. energy: -0.124
local terms energy: -60.690508
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -8.210
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: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -85.670021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.670021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.670021 (E_RNA)
where:
Base-Base interactions energy: -39.214
where: short stacking energy: -32.926
Base-Backbone interact. energy: -0.840
local terms energy: -45.615418
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -85.642928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.642928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.642928 (E_RNA)
where:
Base-Base interactions energy: -35.495
where: short stacking energy: -29.915
Base-Backbone interact. energy: 0.108
local terms energy: -50.255680
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -8.001
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -75.718590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.718590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.718590 (E_RNA)
where:
Base-Base interactions energy: -28.270
where: short stacking energy: -28.686
Base-Backbone interact. energy: -0.292
local terms energy: -47.156366
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -78.233310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.233310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.233310 (E_RNA)
where:
Base-Base interactions energy: -25.963
where: short stacking energy: -21.386
Base-Backbone interact. energy: -0.172
local terms energy: -52.097819
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -219.417613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.417613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.417613 (E_RNA)
where:
Base-Base interactions energy: -146.090
where: short stacking energy: -55.700
Base-Backbone interact. energy: -0.747
local terms energy: -72.580192
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -189.998030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.998030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.998030 (E_RNA)
where:
Base-Base interactions energy: -120.542
where: short stacking energy: -72.260
Base-Backbone interact. energy: -0.030
local terms energy: -69.426371
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.233
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: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -213.187540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.187540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.187540 (E_RNA)
where:
Base-Base interactions energy: -136.711
where: short stacking energy: -65.375
Base-Backbone interact. energy: -0.351
local terms energy: -76.125427
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -179.054107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.054107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.054107 (E_RNA)
where:
Base-Base interactions energy: -114.648
where: short stacking energy: -64.987
Base-Backbone interact. energy: -0.025
local terms energy: -64.381299
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -17.938
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: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -152.588743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.588743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.588743 (E_RNA)
where:
Base-Base interactions energy: -92.969
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.050
local terms energy: -59.569798
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -115.408679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.408679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.408679 (E_RNA)
where:
Base-Base interactions energy: -54.796
where: short stacking energy: -37.495
Base-Backbone interact. energy: -0.734
local terms energy: -59.878556
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -5.677
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: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -96.456028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.456028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.456028 (E_RNA)
where:
Base-Base interactions energy: -50.490
where: short stacking energy: -40.353
Base-Backbone interact. energy: -0.034
local terms energy: -45.932398
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -6.222
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -9.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -83.522426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.522426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.522426 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -28.072
Base-Backbone interact. energy: 1.542
local terms energy: -53.200890
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -85.476695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.476695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.476695 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.164
local terms energy: -50.368264
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -84.417045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.417045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.417045 (E_RNA)
where:
Base-Base interactions energy: -34.021
where: short stacking energy: -29.886
Base-Backbone interact. energy: -0.404
local terms energy: -49.991175
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -5.367
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: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -214.914861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.914861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.914861 (E_RNA)
where:
Base-Base interactions energy: -146.429
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.210
local terms energy: -68.275951
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -216.386662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.386662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.386662 (E_RNA)
where:
Base-Base interactions energy: -138.536
where: short stacking energy: -71.719
Base-Backbone interact. energy: -0.104
local terms energy: -77.745808
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -191.680725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.680725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.680725 (E_RNA)
where:
Base-Base interactions energy: -116.664
where: short stacking energy: -61.963
Base-Backbone interact. energy: -0.010
local terms energy: -75.006479
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -16.663
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: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -173.228533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.228533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.228533 (E_RNA)
where:
Base-Base interactions energy: -100.765
where: short stacking energy: -53.966
Base-Backbone interact. energy: -0.287
local terms energy: -72.176379
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -14.535
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: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -171.922349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.922349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.922349 (E_RNA)
where:
Base-Base interactions energy: -104.046
where: short stacking energy: -53.637
Base-Backbone interact. energy: 0.880
local terms energy: -68.756997
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -98.243934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.243934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.243934 (E_RNA)
where:
Base-Base interactions energy: -38.363
where: short stacking energy: -38.363
Base-Backbone interact. energy: 0.261
local terms energy: -60.142368
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -99.624451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.624451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.624451 (E_RNA)
where:
Base-Base interactions energy: -45.244
where: short stacking energy: -45.244
Base-Backbone interact. energy: -0.006
local terms energy: -54.375088
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -9.715
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: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -90.653784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.653784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.653784 (E_RNA)
where:
Base-Base interactions energy: -36.520
where: short stacking energy: -31.870
Base-Backbone interact. energy: -0.057
local terms energy: -54.076896
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -84.236009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.236009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.236009 (E_RNA)
where:
Base-Base interactions energy: -29.864
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.028
local terms energy: -54.344464
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -77.594306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.594306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.594306 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -19.333
Base-Backbone interact. energy: -0.330
local terms energy: -43.783157
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -211.475783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.475783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.475783 (E_RNA)
where:
Base-Base interactions energy: -132.795
where: short stacking energy: -61.815
Base-Backbone interact. energy: -0.175
local terms energy: -78.505161
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -212.387204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.387204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.387204 (E_RNA)
where:
Base-Base interactions energy: -139.767
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.237
local terms energy: -72.383967
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.129
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: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -192.641250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.641250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.641250 (E_RNA)
where:
Base-Base interactions energy: -123.450
where: short stacking energy: -62.548
Base-Backbone interact. energy: 0.762
local terms energy: -69.953131
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -179.873083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.873083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.873083 (E_RNA)
where:
Base-Base interactions energy: -118.679
where: short stacking energy: -54.676
Base-Backbone interact. energy: 0.088
local terms energy: -61.281723
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -131.668543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.668543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.668543 (E_RNA)
where:
Base-Base interactions energy: -66.926
where: short stacking energy: -37.054
Base-Backbone interact. energy: -0.540
local terms energy: -64.202544
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -165.049872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.049872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.049872 (E_RNA)
where:
Base-Base interactions energy: -95.363
where: short stacking energy: -52.012
Base-Backbone interact. energy: -0.009
local terms energy: -69.678139
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -16.431
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: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -121.822088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.822088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.822088 (E_RNA)
where:
Base-Base interactions energy: -72.733
where: short stacking energy: -37.686
Base-Backbone interact. energy: -0.313
local terms energy: -48.776555
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -0.295
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: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -85.866008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.866008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.866008 (E_RNA)
where:
Base-Base interactions energy: -27.425
where: short stacking energy: -27.425
Base-Backbone interact. energy: -0.524
local terms energy: -57.916262
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -81.114501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.114501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.114501 (E_RNA)
where:
Base-Base interactions energy: -31.206
where: short stacking energy: -31.206
Base-Backbone interact. energy: -0.141
local terms energy: -49.767502
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -86.535323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.535323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.535323 (E_RNA)
where:
Base-Base interactions energy: -37.897
where: short stacking energy: -37.897
Base-Backbone interact. energy: 0.424
local terms energy: -49.062980
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -225.120713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.120713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.120713 (E_RNA)
where:
Base-Base interactions energy: -149.503
where: short stacking energy: -77.189
Base-Backbone interact. energy: -0.023
local terms energy: -75.594487
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -201.522679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.522679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.522679 (E_RNA)
where:
Base-Base interactions energy: -122.963
where: short stacking energy: -67.398
Base-Backbone interact. energy: -0.158
local terms energy: -78.401064
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -220.090771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.090771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.090771 (E_RNA)
where:
Base-Base interactions energy: -143.161
where: short stacking energy: -73.148
Base-Backbone interact. energy: -0.546
local terms energy: -76.384132
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -170.244902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.244902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.244902 (E_RNA)
where:
Base-Base interactions energy: -98.757
where: short stacking energy: -55.274
Base-Backbone interact. energy: -0.187
local terms energy: -71.300954
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -9.739
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: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -132.466823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.466823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.466823 (E_RNA)
where:
Base-Base interactions energy: -70.880
where: short stacking energy: -52.304
Base-Backbone interact. energy: -1.493
local terms energy: -60.094461
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -160.041085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.041085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.041085 (E_RNA)
where:
Base-Base interactions energy: -98.342
where: short stacking energy: -50.520
Base-Backbone interact. energy: 1.575
local terms energy: -63.274251
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -115.589372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.589372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.589372 (E_RNA)
where:
Base-Base interactions energy: -69.417
where: short stacking energy: -29.298
Base-Backbone interact. energy: 0.529
local terms energy: -46.701072
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -7.283
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -95.435965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.435965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.435965 (E_RNA)
where:
Base-Base interactions energy: -41.215
where: short stacking energy: -40.586
Base-Backbone interact. energy: -0.426
local terms energy: -53.795139
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -89.725026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.725026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.725026 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -20.125
Base-Backbone interact. energy: -0.117
local terms energy: -50.128555
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -1.915
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: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -85.255132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.255132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.255132 (E_RNA)
where:
Base-Base interactions energy: -38.952
where: short stacking energy: -36.066
Base-Backbone interact. energy: -0.186
local terms energy: -46.117881
where:
bonds (distance) C4'-P energy: -6.621
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -6.652
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: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -225.569842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.569842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.569842 (E_RNA)
where:
Base-Base interactions energy: -149.007
where: short stacking energy: -58.283
Base-Backbone interact. energy: -1.034
local terms energy: -75.528856
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -193.313329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.313329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.313329 (E_RNA)
where:
Base-Base interactions energy: -119.019
where: short stacking energy: -66.719
Base-Backbone interact. energy: -0.473
local terms energy: -73.821217
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -11.053
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: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -215.636640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.636640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.636640 (E_RNA)
where:
Base-Base interactions energy: -142.843
where: short stacking energy: -67.567
Base-Backbone interact. energy: -0.020
local terms energy: -72.773560
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -151.270727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.270727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.270727 (E_RNA)
where:
Base-Base interactions energy: -93.877
where: short stacking energy: -49.817
Base-Backbone interact. energy: -0.590
local terms energy: -56.803883
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -6.739
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: 36
Temperature: 1.100000
Total energy: -132.092046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.092046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.092046 (E_RNA)
where:
Base-Base interactions energy: -73.620
where: short stacking energy: -40.379
Base-Backbone interact. energy: 0.507
local terms energy: -58.978954
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -165.068358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.068358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.068358 (E_RNA)
where:
Base-Base interactions energy: -100.702
where: short stacking energy: -54.097
Base-Backbone interact. energy: -0.037
local terms energy: -64.328753
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -98.453192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.453192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.453192 (E_RNA)
where:
Base-Base interactions energy: -42.526
where: short stacking energy: -37.516
Base-Backbone interact. energy: -0.276
local terms energy: -55.651625
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -7.964
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: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -81.747874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.747874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.747874 (E_RNA)
where:
Base-Base interactions energy: -27.959
where: short stacking energy: -28.268
Base-Backbone interact. energy: -0.456
local terms energy: -53.332688
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -2.188
tors. eta vs tors. theta energy: -5.943
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: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -80.454769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.454769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.454769 (E_RNA)
where:
Base-Base interactions energy: -43.033
where: short stacking energy: -38.272
Base-Backbone interact. energy: -0.067
local terms energy: -37.354926
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -4.417
flat angles P-C4'-P energy: -6.584
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: 36
Temperature: 1.350000
Total energy: -68.991297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.991297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.991297 (E_RNA)
where:
Base-Base interactions energy: -20.502
where: short stacking energy: -19.994
Base-Backbone interact. energy: -0.134
local terms energy: -48.355451
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -8.062
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: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -213.945853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.945853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.945853 (E_RNA)
where:
Base-Base interactions energy: -137.953
where: short stacking energy: -69.603
Base-Backbone interact. energy: -0.036
local terms energy: -75.956517
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -219.776351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.776351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.776351 (E_RNA)
where:
Base-Base interactions energy: -149.993
where: short stacking energy: -71.039
Base-Backbone interact. energy: -0.317
local terms energy: -69.466107
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -197.408653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.408653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.408653 (E_RNA)
where:
Base-Base interactions energy: -121.028
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.904
local terms energy: -75.476638
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -20.495
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: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -175.158925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.158925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.158925 (E_RNA)
where:
Base-Base interactions energy: -106.648
where: short stacking energy: -46.267
Base-Backbone interact. energy: -0.607
local terms energy: -67.903468
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -8.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -123.588931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.588931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.588931 (E_RNA)
where:
Base-Base interactions energy: -72.640
where: short stacking energy: -41.259
Base-Backbone interact. energy: -0.166
local terms energy: -50.783032
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -157.842279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.842279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.842279 (E_RNA)
where:
Base-Base interactions energy: -100.407
where: short stacking energy: -49.576
Base-Backbone interact. energy: -0.033
local terms energy: -57.402628
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -94.683298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.683298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.683298 (E_RNA)
where:
Base-Base interactions energy: -46.739
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.168
local terms energy: -47.776653
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -10.337
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: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -87.767150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.767150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.767150 (E_RNA)
where:
Base-Base interactions energy: -34.334
where: short stacking energy: -33.884
Base-Backbone interact. energy: -0.098
local terms energy: -53.335260
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -77.666770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.666770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.666770 (E_RNA)
where:
Base-Base interactions energy: -32.061
where: short stacking energy: -29.059
Base-Backbone interact. energy: -0.072
local terms energy: -45.534413
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -5.112
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -1.965
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: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -94.053887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.053887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.053887 (E_RNA)
where:
Base-Base interactions energy: -48.139
where: short stacking energy: -27.449
Base-Backbone interact. energy: -0.287
local terms energy: -45.628655
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -10.843
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: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -222.947389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.947389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.947389 (E_RNA)
where:
Base-Base interactions energy: -146.203
where: short stacking energy: -66.831
Base-Backbone interact. energy: -0.915
local terms energy: -75.829488
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -12.385
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: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -225.389039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.389039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.389039 (E_RNA)
where:
Base-Base interactions energy: -147.590
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.025
local terms energy: -77.774169
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -176.574783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.574783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.574783 (E_RNA)
where:
Base-Base interactions energy: -114.114
where: short stacking energy: -66.937
Base-Backbone interact. energy: -0.116
local terms energy: -62.344893
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -7.747
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: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -173.375125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.375125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.375125 (E_RNA)
where:
Base-Base interactions energy: -111.141
where: short stacking energy: -57.210
Base-Backbone interact. energy: -0.381
local terms energy: -61.853056
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -12.920
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: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -148.004235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.004235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.004235 (E_RNA)
where:
Base-Base interactions energy: -89.597
where: short stacking energy: -50.068
Base-Backbone interact. energy: 0.816
local terms energy: -59.223638
where:
bonds (distance) C4'-P energy: -7.392
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -11.841
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: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -99.576400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.576400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.576400 (E_RNA)
where:
Base-Base interactions energy: -48.494
where: short stacking energy: -37.399
Base-Backbone interact. energy: -0.193
local terms energy: -50.889638
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -107.074167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.074167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.074167 (E_RNA)
where:
Base-Base interactions energy: -54.017
where: short stacking energy: -38.815
Base-Backbone interact. energy: -1.261
local terms energy: -51.796094
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -89.811252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.811252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.811252 (E_RNA)
where:
Base-Base interactions energy: -43.452
where: short stacking energy: -32.402
Base-Backbone interact. energy: 2.238
local terms energy: -48.597660
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -80.237876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.237876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.237876 (E_RNA)
where:
Base-Base interactions energy: -25.567
where: short stacking energy: -24.848
Base-Backbone interact. energy: -0.071
local terms energy: -54.599765
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -82.917753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.917753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.917753 (E_RNA)
where:
Base-Base interactions energy: -41.280
where: short stacking energy: -24.726
Base-Backbone interact. energy: 2.819
local terms energy: -44.457558
where:
bonds (distance) C4'-P energy: -6.461
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -4.466
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: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -226.526570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.526570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.526570 (E_RNA)
where:
Base-Base interactions energy: -158.260
where: short stacking energy: -62.906
Base-Backbone interact. energy: -0.037
local terms energy: -68.228972
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.945
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: 2, replica: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -216.024227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.024227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.024227 (E_RNA)
where:
Base-Base interactions energy: -142.996
where: short stacking energy: -62.998
Base-Backbone interact. energy: -0.009
local terms energy: -73.018953
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -185.176028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.176028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.176028 (E_RNA)
where:
Base-Base interactions energy: -115.933
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.002
local terms energy: -69.241841
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -165.266820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.266820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.266820 (E_RNA)
where:
Base-Base interactions energy: -97.795
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.346
local terms energy: -67.125874
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -180.757005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.757005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.757005 (E_RNA)
where:
Base-Base interactions energy: -112.306
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.297
local terms energy: -68.153606
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -15.361
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: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -106.105748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.105748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.105748 (E_RNA)
where:
Base-Base interactions energy: -43.257
where: short stacking energy: -44.557
Base-Backbone interact. energy: -0.003
local terms energy: -62.845115
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -90.231602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.231602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.231602 (E_RNA)
where:
Base-Base interactions energy: -46.678
where: short stacking energy: -25.202
Base-Backbone interact. energy: -0.296
local terms energy: -43.257873
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -8.408
flat angles P-C4'-P energy: -5.148
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: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -80.004574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.004574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.004574 (E_RNA)
where:
Base-Base interactions energy: -37.608
where: short stacking energy: -29.650
Base-Backbone interact. energy: -0.289
local terms energy: -42.107743
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -9.133
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -75.869115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.869115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.869115 (E_RNA)
where:
Base-Base interactions energy: -28.660
where: short stacking energy: -24.758
Base-Backbone interact. energy: -0.118
local terms energy: -47.091896
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -77.880519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.880519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.880519 (E_RNA)
where:
Base-Base interactions energy: -29.547
where: short stacking energy: -25.166
Base-Backbone interact. energy: 0.294
local terms energy: -48.626798
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -233.287470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.287470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.287470 (E_RNA)
where:
Base-Base interactions energy: -152.196
where: short stacking energy: -73.914
Base-Backbone interact. energy: -0.025
local terms energy: -81.066762
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -20.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -208.844244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.844244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.844244 (E_RNA)
where:
Base-Base interactions energy: -147.317
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.449
local terms energy: -61.077838
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -174.003837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.003837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.003837 (E_RNA)
where:
Base-Base interactions energy: -108.894
where: short stacking energy: -55.437
Base-Backbone interact. energy: -0.469
local terms energy: -64.640277
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -1.481
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -175.083009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.083009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.083009 (E_RNA)
where:
Base-Base interactions energy: -107.205
where: short stacking energy: -60.585
Base-Backbone interact. energy: -0.528
local terms energy: -67.349984
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -181.574362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.574362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.574362 (E_RNA)
where:
Base-Base interactions energy: -113.039
where: short stacking energy: -56.405
Base-Backbone interact. energy: -1.000
local terms energy: -67.535637
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -104.556162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.556162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.556162 (E_RNA)
where:
Base-Base interactions energy: -47.336
where: short stacking energy: -47.336
Base-Backbone interact. energy: -0.060
local terms energy: -57.159593
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -96.132656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.132656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.132656 (E_RNA)
where:
Base-Base interactions energy: -42.060
where: short stacking energy: -37.296
Base-Backbone interact. energy: -0.141
local terms energy: -53.931652
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -7.854
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: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -78.273491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.273491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.273491 (E_RNA)
where:
Base-Base interactions energy: -30.778
where: short stacking energy: -30.548
Base-Backbone interact. energy: 0.680
local terms energy: -48.176104
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -7.156
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: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -84.091004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.091004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.091004 (E_RNA)
where:
Base-Base interactions energy: -23.943
where: short stacking energy: -23.943
Base-Backbone interact. energy: 0.701
local terms energy: -60.848345
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -81.300881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.300881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.300881 (E_RNA)
where:
Base-Base interactions energy: -28.684
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.146
local terms energy: -52.471017
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: 1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -227.627303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.627303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.627303 (E_RNA)
where:
Base-Base interactions energy: -149.464
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.101
local terms energy: -78.061950
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -21.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -211.160797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.160797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.160797 (E_RNA)
where:
Base-Base interactions energy: -142.105
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.044
local terms energy: -69.011218
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -172.585607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.585607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.585607 (E_RNA)
where:
Base-Base interactions energy: -110.466
where: short stacking energy: -50.132
Base-Backbone interact. energy: 0.382
local terms energy: -62.502085
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -179.082431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.082431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.082431 (E_RNA)
where:
Base-Base interactions energy: -112.182
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.251
local terms energy: -66.649125
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -159.726795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.726795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.726795 (E_RNA)
where:
Base-Base interactions energy: -94.957
where: short stacking energy: -48.869
Base-Backbone interact. energy: -0.241
local terms energy: -64.528263
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -13.096
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: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -110.943522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.943522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.943522 (E_RNA)
where:
Base-Base interactions energy: -54.627
where: short stacking energy: -40.979
Base-Backbone interact. energy: -0.155
local terms energy: -56.161644
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -7.271
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: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -100.484758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.484758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.484758 (E_RNA)
where:
Base-Base interactions energy: -39.746
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.220
local terms energy: -60.519023
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -12.898
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: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -110.209286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.209286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.209286 (E_RNA)
where:
Base-Base interactions energy: -52.946
where: short stacking energy: -31.997
Base-Backbone interact. energy: 0.071
local terms energy: -57.335140
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -79.748948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.748948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.748948 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -31.470
Base-Backbone interact. energy: -0.243
local terms energy: -47.767672
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -7.427
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -2.455
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: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -78.457338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.457338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.457338 (E_RNA)
where:
Base-Base interactions energy: -27.099
where: short stacking energy: -27.099
Base-Backbone interact. energy: -0.141
local terms energy: -51.216935
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -6.956
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: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -223.523300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.523300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.523300 (E_RNA)
where:
Base-Base interactions energy: -144.729
where: short stacking energy: -68.364
Base-Backbone interact. energy: -0.001
local terms energy: -78.793144
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -18.584
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: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -220.594042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.594042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.594042 (E_RNA)
where:
Base-Base interactions energy: -150.462
where: short stacking energy: -65.787
Base-Backbone interact. energy: -0.004
local terms energy: -70.128196
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -19.108
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: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -179.770719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.770719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.770719 (E_RNA)
where:
Base-Base interactions energy: -116.148
where: short stacking energy: -66.984
Base-Backbone interact. energy: -0.285
local terms energy: -63.337747
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -167.734260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.734260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.734260 (E_RNA)
where:
Base-Base interactions energy: -110.146
where: short stacking energy: -62.655
Base-Backbone interact. energy: -0.007
local terms energy: -57.581693
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -9.677
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: 5, replica: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -157.681254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.681254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.681254 (E_RNA)
where:
Base-Base interactions energy: -97.000
where: short stacking energy: -52.180
Base-Backbone interact. energy: -0.101
local terms energy: -60.580623
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -101.208319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.208319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.208319 (E_RNA)
where:
Base-Base interactions energy: -49.347
where: short stacking energy: -39.552
Base-Backbone interact. energy: -0.019
local terms energy: -51.842003
where:
bonds (distance) C4'-P energy: -7.376
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -88.656537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.656537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.656537 (E_RNA)
where:
Base-Base interactions energy: -31.066
where: short stacking energy: -27.530
Base-Backbone interact. energy: -0.616
local terms energy: -56.974644
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -91.480256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.480256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.480256 (E_RNA)
where:
Base-Base interactions energy: -39.879
where: short stacking energy: -39.879
Base-Backbone interact. energy: -0.733
local terms energy: -50.868574
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -2.828
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: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -83.912158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.912158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.912158 (E_RNA)
where:
Base-Base interactions energy: -32.408
where: short stacking energy: -29.105
Base-Backbone interact. energy: -0.362
local terms energy: -51.142076
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -83.459048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.459048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.459048 (E_RNA)
where:
Base-Base interactions energy: -30.755
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.975
local terms energy: -51.729261
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -10.360
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: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -223.629197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.629197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.629197 (E_RNA)
where:
Base-Base interactions energy: -149.177
where: short stacking energy: -73.095
Base-Backbone interact. energy: -0.350
local terms energy: -74.102964
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -20.237
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: 2, replica: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -214.791745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.791745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.791745 (E_RNA)
where:
Base-Base interactions energy: -142.293
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.873
local terms energy: -71.626524
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -187.443919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.443919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.443919 (E_RNA)
where:
Base-Base interactions energy: -126.788
where: short stacking energy: -47.714
Base-Backbone interact. energy: 0.198
local terms energy: -60.853458
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -166.630757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.630757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.630757 (E_RNA)
where:
Base-Base interactions energy: -110.987
where: short stacking energy: -53.752
Base-Backbone interact. energy: -0.371
local terms energy: -55.272932
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -10.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -175.380284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.380284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.380284 (E_RNA)
where:
Base-Base interactions energy: -114.245
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.128
local terms energy: -61.007392
where:
bonds (distance) C4'-P energy: -1.855
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -101.868353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.868353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.868353 (E_RNA)
where:
Base-Base interactions energy: -40.188
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.153
local terms energy: -61.527809
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -8.870
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: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -88.900629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.900629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.900629 (E_RNA)
where:
Base-Base interactions energy: -33.510
where: short stacking energy: -32.851
Base-Backbone interact. energy: -0.025
local terms energy: -55.365694
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -87.144574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.144574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.144574 (E_RNA)
where:
Base-Base interactions energy: -37.996
where: short stacking energy: -31.411
Base-Backbone interact. energy: -0.638
local terms energy: -48.511174
where:
bonds (distance) C4'-P energy: -7.271
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -94.848004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.848004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.848004 (E_RNA)
where:
Base-Base interactions energy: -45.249
where: short stacking energy: -34.160
Base-Backbone interact. energy: -0.716
local terms energy: -48.883488
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -9.918
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: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -76.348454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.348454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.348454 (E_RNA)
where:
Base-Base interactions energy: -25.260
where: short stacking energy: -25.260
Base-Backbone interact. energy: -0.100
local terms energy: -50.988562
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: 0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -225.232839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.232839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.232839 (E_RNA)
where:
Base-Base interactions energy: -145.594
where: short stacking energy: -69.949
Base-Backbone interact. energy: -0.426
local terms energy: -79.213099
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -226.259800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.259800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.259800 (E_RNA)
where:
Base-Base interactions energy: -152.184
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.130
local terms energy: -73.946724
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -5.581
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: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -195.457114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.457114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.457114 (E_RNA)
where:
Base-Base interactions energy: -134.653
where: short stacking energy: -51.751
Base-Backbone interact. energy: -0.322
local terms energy: -60.482343
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -8.869
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -172.803354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.803354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.803354 (E_RNA)
where:
Base-Base interactions energy: -104.654
where: short stacking energy: -51.552
Base-Backbone interact. energy: -1.005
local terms energy: -67.144312
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -12.162
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: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -188.451158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.451158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.451158 (E_RNA)
where:
Base-Base interactions energy: -110.139
where: short stacking energy: -50.457
Base-Backbone interact. energy: 0.316
local terms energy: -78.628042
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -118.979552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.979552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.979552 (E_RNA)
where:
Base-Base interactions energy: -63.305
where: short stacking energy: -32.114
Base-Backbone interact. energy: 0.080
local terms energy: -55.754434
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -98.488813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.488813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.488813 (E_RNA)
where:
Base-Base interactions energy: -42.169
where: short stacking energy: -22.112
Base-Backbone interact. energy: -0.012
local terms energy: -56.308080
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -9.604
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: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -91.632397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.632397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.632397 (E_RNA)
where:
Base-Base interactions energy: -33.011
where: short stacking energy: -33.011
Base-Backbone interact. energy: -0.009
local terms energy: -58.611775
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -88.027919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.027919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.027919 (E_RNA)
where:
Base-Base interactions energy: -36.063
where: short stacking energy: -28.060
Base-Backbone interact. energy: -0.067
local terms energy: -51.898138
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -3.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -74.732695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.732695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.732695 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -24.256
Base-Backbone interact. energy: -0.369
local terms energy: -47.473589
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -228.218948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.218948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.218948 (E_RNA)
where:
Base-Base interactions energy: -151.458
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.039
local terms energy: -76.721739
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -222.212277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.212277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.212277 (E_RNA)
where:
Base-Base interactions energy: -147.468
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.003
local terms energy: -74.742022
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -12.021
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: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -185.708914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.708914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.708914 (E_RNA)
where:
Base-Base interactions energy: -118.102
where: short stacking energy: -62.933
Base-Backbone interact. energy: -0.231
local terms energy: -67.375271
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -7.060
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: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -172.749874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.749874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.749874 (E_RNA)
where:
Base-Base interactions energy: -105.307
where: short stacking energy: -60.118
Base-Backbone interact. energy: -0.166
local terms energy: -67.277241
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -181.793632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.793632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.793632 (E_RNA)
where:
Base-Base interactions energy: -110.905
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.448
local terms energy: -70.440294
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -137.008873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.008873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.008873 (E_RNA)
where:
Base-Base interactions energy: -77.440
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.398
local terms energy: -59.170387
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -9.947
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: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -101.462298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.462298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.462298 (E_RNA)
where:
Base-Base interactions energy: -42.180
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.012
local terms energy: -59.271225
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -91.442289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.442289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.442289 (E_RNA)
where:
Base-Base interactions energy: -33.037
where: short stacking energy: -21.426
Base-Backbone interact. energy: -0.092
local terms energy: -58.313959
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -8.945
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: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -84.067006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.067006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.067006 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -35.019
Base-Backbone interact. energy: -0.482
local terms energy: -48.566270
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -5.653
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -74.914325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.914325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.914325 (E_RNA)
where:
Base-Base interactions energy: -27.210
where: short stacking energy: -20.387
Base-Backbone interact. energy: -0.153
local terms energy: -47.551606
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -223.693357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.693357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.693357 (E_RNA)
where:
Base-Base interactions energy: -145.011
where: short stacking energy: -74.429
Base-Backbone interact. energy: 0.316
local terms energy: -78.999001
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -219.947004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.947004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.947004 (E_RNA)
where:
Base-Base interactions energy: -146.075
where: short stacking energy: -61.881
Base-Backbone interact. energy: -0.511
local terms energy: -73.361188
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -23.180
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: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -182.634218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.634218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.634218 (E_RNA)
where:
Base-Base interactions energy: -108.606
where: short stacking energy: -60.858
Base-Backbone interact. energy: -0.041
local terms energy: -73.986941
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -174.128316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.128316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.128316 (E_RNA)
where:
Base-Base interactions energy: -103.665
where: short stacking energy: -53.724
Base-Backbone interact. energy: -0.471
local terms energy: -69.992097
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -133.288974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.288974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.288974 (E_RNA)
where:
Base-Base interactions energy: -72.457
where: short stacking energy: -40.298
Base-Backbone interact. energy: -0.843
local terms energy: -59.989065
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -8.999
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: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -159.545858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.545858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.545858 (E_RNA)
where:
Base-Base interactions energy: -95.237
where: short stacking energy: -40.942
Base-Backbone interact. energy: -0.614
local terms energy: -63.694662
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -10.585
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: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -104.814204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.814204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.814204 (E_RNA)
where:
Base-Base interactions energy: -55.834
where: short stacking energy: -33.558
Base-Backbone interact. energy: -0.070
local terms energy: -48.910351
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -8.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -86.693151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.693151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.693151 (E_RNA)
where:
Base-Base interactions energy: -28.533
where: short stacking energy: -28.471
Base-Backbone interact. energy: -0.091
local terms energy: -58.069242
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -80.320130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.320130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.320130 (E_RNA)
where:
Base-Base interactions energy: -33.525
where: short stacking energy: -24.882
Base-Backbone interact. energy: -0.366
local terms energy: -46.429356
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -0.763
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: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -80.032605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.032605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.032605 (E_RNA)
where:
Base-Base interactions energy: -36.579
where: short stacking energy: -21.866
Base-Backbone interact. energy: -0.116
local terms energy: -43.338063
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -5.535
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: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -227.640818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.640818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.640818 (E_RNA)
where:
Base-Base interactions energy: -153.728
where: short stacking energy: -80.761
Base-Backbone interact. energy: -0.008
local terms energy: -73.905434
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -220.922280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.922280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.922280 (E_RNA)
where:
Base-Base interactions energy: -144.824
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.853
local terms energy: -75.245300
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -20.213
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: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -177.061450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.061450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.061450 (E_RNA)
where:
Base-Base interactions energy: -103.861
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.004
local terms energy: -73.196892
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -12.155
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: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -168.231933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.231933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.231933 (E_RNA)
where:
Base-Base interactions energy: -110.912
where: short stacking energy: -63.562
Base-Backbone interact. energy: -0.323
local terms energy: -56.996554
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -140.746006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.746006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.746006 (E_RNA)
where:
Base-Base interactions energy: -86.051
where: short stacking energy: -49.497
Base-Backbone interact. energy: -0.023
local terms energy: -54.671630
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -150.117262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.117262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.117262 (E_RNA)
where:
Base-Base interactions energy: -86.184
where: short stacking energy: -44.697
Base-Backbone interact. energy: -0.371
local terms energy: -63.562746
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -111.451981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.451981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.451981 (E_RNA)
where:
Base-Base interactions energy: -58.598
where: short stacking energy: -38.769
Base-Backbone interact. energy: -0.044
local terms energy: -52.809892
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.453
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: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -86.373579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.373579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.373579 (E_RNA)
where:
Base-Base interactions energy: -39.528
where: short stacking energy: -39.828
Base-Backbone interact. energy: 0.124
local terms energy: -46.969710
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -84.315621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.315621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.315621 (E_RNA)
where:
Base-Base interactions energy: -36.192
where: short stacking energy: -32.435
Base-Backbone interact. energy: -0.224
local terms energy: -47.899409
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -102.802879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.802879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.802879 (E_RNA)
where:
Base-Base interactions energy: -45.445
where: short stacking energy: -41.042
Base-Backbone interact. energy: -0.014
local terms energy: -57.343829
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -220.328804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.328804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.328804 (E_RNA)
where:
Base-Base interactions energy: -140.942
where: short stacking energy: -68.617
Base-Backbone interact. energy: -0.000
local terms energy: -79.386277
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -20.370
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: 2, replica: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -223.478682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.478682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.478682 (E_RNA)
where:
Base-Base interactions energy: -149.193
where: short stacking energy: -78.010
Base-Backbone interact. energy: -0.043
local terms energy: -74.242555
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -194.134964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.134964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.134964 (E_RNA)
where:
Base-Base interactions energy: -121.408
where: short stacking energy: -64.079
Base-Backbone interact. energy: -0.030
local terms energy: -72.697119
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -175.274360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.274360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.274360 (E_RNA)
where:
Base-Base interactions energy: -98.740
where: short stacking energy: -51.085
Base-Backbone interact. energy: -0.009
local terms energy: -76.525417
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -163.421896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.421896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.421896 (E_RNA)
where:
Base-Base interactions energy: -95.446
where: short stacking energy: -57.166
Base-Backbone interact. energy: -0.734
local terms energy: -67.242581
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -4.821
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: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -144.865649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.865649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.865649 (E_RNA)
where:
Base-Base interactions energy: -85.148
where: short stacking energy: -44.718
Base-Backbone interact. energy: -0.187
local terms energy: -59.530661
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -100.842303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.842303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.842303 (E_RNA)
where:
Base-Base interactions energy: -42.349
where: short stacking energy: -40.081
Base-Backbone interact. energy: -0.051
local terms energy: -58.442853
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -83.432750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.432750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.432750 (E_RNA)
where:
Base-Base interactions energy: -38.239
where: short stacking energy: -23.749
Base-Backbone interact. energy: -0.101
local terms energy: -45.092059
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: 1.754
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: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -79.780893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.780893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.780893 (E_RNA)
where:
Base-Base interactions energy: -37.086
where: short stacking energy: -23.210
Base-Backbone interact. energy: -0.110
local terms energy: -42.584580
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: 1.332
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -80.169420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.169420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.169420 (E_RNA)
where:
Base-Base interactions energy: -28.134
where: short stacking energy: -19.393
Base-Backbone interact. energy: -0.282
local terms energy: -51.753306
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -2.650
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: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -225.842078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.842078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.842078 (E_RNA)
where:
Base-Base interactions energy: -153.270
where: short stacking energy: -68.026
Base-Backbone interact. energy: -0.489
local terms energy: -72.082779
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -21.171
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: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -210.913080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.913080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.913080 (E_RNA)
where:
Base-Base interactions energy: -140.175
where: short stacking energy: -61.959
Base-Backbone interact. energy: -0.008
local terms energy: -70.729809
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -15.782
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: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -181.344668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.344668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.344668 (E_RNA)
where:
Base-Base interactions energy: -113.558
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.237
local terms energy: -67.549565
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.671
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: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -192.188749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.188749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.188749 (E_RNA)
where:
Base-Base interactions energy: -119.306
where: short stacking energy: -63.146
Base-Backbone interact. energy: -0.249
local terms energy: -72.634076
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -158.980815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.980815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.980815 (E_RNA)
where:
Base-Base interactions energy: -103.092
where: short stacking energy: -49.687
Base-Backbone interact. energy: -0.093
local terms energy: -55.796261
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -12.037
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: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -109.390268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.390268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.390268 (E_RNA)
where:
Base-Base interactions energy: -48.950
where: short stacking energy: -48.950
Base-Backbone interact. energy: -0.011
local terms energy: -60.428657
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -129.505932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.505932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.505932 (E_RNA)
where:
Base-Base interactions energy: -72.351
where: short stacking energy: -36.947
Base-Backbone interact. energy: -1.032
local terms energy: -56.122914
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -6.813
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -7.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -97.601344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.601344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.601344 (E_RNA)
where:
Base-Base interactions energy: -41.145
where: short stacking energy: -28.341
Base-Backbone interact. energy: 1.545
local terms energy: -58.001754
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -93.396977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.396977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.396977 (E_RNA)
where:
Base-Base interactions energy: -40.808
where: short stacking energy: -37.085
Base-Backbone interact. energy: 0.519
local terms energy: -53.107256
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -74.997573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.997573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.997573 (E_RNA)
where:
Base-Base interactions energy: -23.161
where: short stacking energy: -19.490
Base-Backbone interact. energy: -0.247
local terms energy: -51.589077
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -10.272
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -0.744
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: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -225.145007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.145007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.145007 (E_RNA)
where:
Base-Base interactions energy: -144.185
where: short stacking energy: -71.438
Base-Backbone interact. energy: -0.055
local terms energy: -80.904500
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -224.102821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.102821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.102821 (E_RNA)
where:
Base-Base interactions energy: -145.147
where: short stacking energy: -71.504
Base-Backbone interact. energy: -1.196
local terms energy: -77.760013
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -176.637438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.637438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.637438 (E_RNA)
where:
Base-Base interactions energy: -113.887
where: short stacking energy: -56.815
Base-Backbone interact. energy: -1.297
local terms energy: -61.453659
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -166.495061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.495061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.495061 (E_RNA)
where:
Base-Base interactions energy: -108.256
where: short stacking energy: -43.385
Base-Backbone interact. energy: -0.253
local terms energy: -57.985766
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -151.405409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.405409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.405409 (E_RNA)
where:
Base-Base interactions energy: -94.732
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.092
local terms energy: -56.580886
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -103.138934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.138934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.138934 (E_RNA)
where:
Base-Base interactions energy: -45.778
where: short stacking energy: -44.514
Base-Backbone interact. energy: -0.188
local terms energy: -57.172881
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -157.303097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.303097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.303097 (E_RNA)
where:
Base-Base interactions energy: -93.933
where: short stacking energy: -49.816
Base-Backbone interact. energy: -0.791
local terms energy: -62.578944
where:
bonds (distance) C4'-P energy: -6.419
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -90.344813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.344813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.344813 (E_RNA)
where:
Base-Base interactions energy: -41.600
where: short stacking energy: -34.829
Base-Backbone interact. energy: -0.564
local terms energy: -48.180759
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -81.938895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.938895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.938895 (E_RNA)
where:
Base-Base interactions energy: -30.579
where: short stacking energy: -30.579
Base-Backbone interact. energy: -0.009
local terms energy: -51.351117
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -10.958
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: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -80.466086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.466086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.466086 (E_RNA)
where:
Base-Base interactions energy: -30.131
where: short stacking energy: -30.131
Base-Backbone interact. energy: -0.104
local terms energy: -50.231369
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -8.513
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -232.801483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.801483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.801483 (E_RNA)
where:
Base-Base interactions energy: -149.958
where: short stacking energy: -71.563
Base-Backbone interact. energy: -1.711
local terms energy: -81.132473
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -22.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -227.839359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.839359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.839359 (E_RNA)
where:
Base-Base interactions energy: -149.934
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.111
local terms energy: -77.793863
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -194.090519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.090519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.090519 (E_RNA)
where:
Base-Base interactions energy: -115.142
where: short stacking energy: -63.254
Base-Backbone interact. energy: -0.006
local terms energy: -78.942064
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -183.537664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.537664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.537664 (E_RNA)
where:
Base-Base interactions energy: -117.617
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.290
local terms energy: -65.630878
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -154.375529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.375529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.375529 (E_RNA)
where:
Base-Base interactions energy: -102.462
where: short stacking energy: -41.415
Base-Backbone interact. energy: -0.088
local terms energy: -51.825398
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -166.105054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.105054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.105054 (E_RNA)
where:
Base-Base interactions energy: -105.091
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.023
local terms energy: -60.991347
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -13.440
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: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -94.742611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.742611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.742611 (E_RNA)
where:
Base-Base interactions energy: -47.041
where: short stacking energy: -27.233
Base-Backbone interact. energy: 4.014
local terms energy: -51.715572
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -81.064295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.064295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.064295 (E_RNA)
where:
Base-Base interactions energy: -38.964
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.328
local terms energy: -41.772216
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -0.657
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: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -76.167367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.167367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.167367 (E_RNA)
where:
Base-Base interactions energy: -17.303
where: short stacking energy: -16.866
Base-Backbone interact. energy: -0.664
local terms energy: -58.200403
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: 0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -70.428715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.428715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.428715 (E_RNA)
where:
Base-Base interactions energy: -26.321
where: short stacking energy: -26.321
Base-Backbone interact. energy: -0.020
local terms energy: -44.087795
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -10.751
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -225.342528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.342528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.342528 (E_RNA)
where:
Base-Base interactions energy: -142.038
where: short stacking energy: -73.179
Base-Backbone interact. energy: -0.001
local terms energy: -83.303274
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -218.898157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.898157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.898157 (E_RNA)
where:
Base-Base interactions energy: -139.608
where: short stacking energy: -65.271
Base-Backbone interact. energy: -0.038
local terms energy: -79.251874
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -188.828070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.828070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.828070 (E_RNA)
where:
Base-Base interactions energy: -117.460
where: short stacking energy: -63.049
Base-Backbone interact. energy: -0.026
local terms energy: -71.342027
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -9.211
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: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -169.071189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.071189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.071189 (E_RNA)
where:
Base-Base interactions energy: -100.610
where: short stacking energy: -58.849
Base-Backbone interact. energy: -0.051
local terms energy: -68.409875
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -165.962322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.962322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.962322 (E_RNA)
where:
Base-Base interactions energy: -102.158
where: short stacking energy: -53.253
Base-Backbone interact. energy: 0.712
local terms energy: -64.516001
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -137.647423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.647423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.647423 (E_RNA)
where:
Base-Base interactions energy: -82.229
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.620
local terms energy: -54.798940
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -1.962
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -83.778648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.778648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.778648 (E_RNA)
where:
Base-Base interactions energy: -32.043
where: short stacking energy: -26.322
Base-Backbone interact. energy: -0.417
local terms energy: -51.318329
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: 1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -89.278375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.278375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.278375 (E_RNA)
where:
Base-Base interactions energy: -45.252
where: short stacking energy: -32.755
Base-Backbone interact. energy: -0.180
local terms energy: -43.846876
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -5.725
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: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -86.158588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.158588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.158588 (E_RNA)
where:
Base-Base interactions energy: -38.721
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.012
local terms energy: -47.424739
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -84.805110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805110 (E_RNA)
where:
Base-Base interactions energy: -36.343
where: short stacking energy: -32.668
Base-Backbone interact. energy: -0.014
local terms energy: -48.448126
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -9.287
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: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -222.746814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.746814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.746814 (E_RNA)
where:
Base-Base interactions energy: -148.372
where: short stacking energy: -60.475
Base-Backbone interact. energy: -0.424
local terms energy: -73.951471
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -221.261305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.261305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.261305 (E_RNA)
where:
Base-Base interactions energy: -148.438
where: short stacking energy: -73.320
Base-Backbone interact. energy: -0.010
local terms energy: -72.812779
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -10.520
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: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -178.847490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.847490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.847490 (E_RNA)
where:
Base-Base interactions energy: -109.041
where: short stacking energy: -55.051
Base-Backbone interact. energy: -0.003
local terms energy: -69.804053
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -186.650257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.650257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.650257 (E_RNA)
where:
Base-Base interactions energy: -120.009
where: short stacking energy: -61.585
Base-Backbone interact. energy: -0.314
local terms energy: -66.327183
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -166.180419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.180419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.180419 (E_RNA)
where:
Base-Base interactions energy: -101.969
where: short stacking energy: -50.464
Base-Backbone interact. energy: -0.005
local terms energy: -64.205902
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -12.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -155.405080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.405080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.405080 (E_RNA)
where:
Base-Base interactions energy: -90.541
where: short stacking energy: -37.224
Base-Backbone interact. energy: -0.437
local terms energy: -64.426574
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -93.299614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.299614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.299614 (E_RNA)
where:
Base-Base interactions energy: -45.277
where: short stacking energy: -45.277
Base-Backbone interact. energy: 1.162
local terms energy: -49.184658
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -7.888
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -89.504126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.504126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.504126 (E_RNA)
where:
Base-Base interactions energy: -36.247
where: short stacking energy: -36.247
Base-Backbone interact. energy: 1.235
local terms energy: -54.492487
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -86.824816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.824816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.824816 (E_RNA)
where:
Base-Base interactions energy: -33.563
where: short stacking energy: -26.366
Base-Backbone interact. energy: -0.568
local terms energy: -52.693710
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -2.268
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: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -68.371957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.371957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.371957 (E_RNA)
where:
Base-Base interactions energy: -24.239
where: short stacking energy: -19.831
Base-Backbone interact. energy: -0.204
local terms energy: -43.929012
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -9.661
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: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -230.290250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.290250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.290250 (E_RNA)
where:
Base-Base interactions energy: -154.252
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.105
local terms energy: -75.933178
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -20.750
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: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -219.559954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.559954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.559954 (E_RNA)
where:
Base-Base interactions energy: -141.748
where: short stacking energy: -68.818
Base-Backbone interact. energy: -0.078
local terms energy: -77.734065
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -184.844813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.844813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.844813 (E_RNA)
where:
Base-Base interactions energy: -117.360
where: short stacking energy: -56.239
Base-Backbone interact. energy: 0.667
local terms energy: -68.150874
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -192.558776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.558776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.558776 (E_RNA)
where:
Base-Base interactions energy: -112.892
where: short stacking energy: -66.490
Base-Backbone interact. energy: -0.065
local terms energy: -79.602030
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -13.232
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: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -157.451303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.451303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.451303 (E_RNA)
where:
Base-Base interactions energy: -100.875
where: short stacking energy: -41.817
Base-Backbone interact. energy: -0.192
local terms energy: -56.384224
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -9.108
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -174.348568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.348568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.348568 (E_RNA)
where:
Base-Base interactions energy: -106.537
where: short stacking energy: -54.258
Base-Backbone interact. energy: -0.359
local terms energy: -67.451835
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -94.824271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.824271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.824271 (E_RNA)
where:
Base-Base interactions energy: -40.228
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.172
local terms energy: -54.423761
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -91.594583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.594583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.594583 (E_RNA)
where:
Base-Base interactions energy: -37.854
where: short stacking energy: -34.865
Base-Backbone interact. energy: -0.039
local terms energy: -53.701490
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -9.578
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: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -112.354614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.354614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.354614 (E_RNA)
where:
Base-Base interactions energy: -57.367
where: short stacking energy: -30.651
Base-Backbone interact. energy: -0.216
local terms energy: -54.771679
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -77.875681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.875681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.875681 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -28.776
Base-Backbone interact. energy: -0.273
local terms energy: -42.526371
where:
bonds (distance) C4'-P energy: -7.313
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -221.923294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.923294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.923294 (E_RNA)
where:
Base-Base interactions energy: -153.688
where: short stacking energy: -61.668
Base-Backbone interact. energy: -0.012
local terms energy: -68.223578
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -8.497
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: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -193.827775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.827775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.827775 (E_RNA)
where:
Base-Base interactions energy: -121.754
where: short stacking energy: -52.737
Base-Backbone interact. energy: -1.909
local terms energy: -70.164895
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -217.222728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.222728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.222728 (E_RNA)
where:
Base-Base interactions energy: -140.366
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.161
local terms energy: -76.695794
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -155.282493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.282493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.282493 (E_RNA)
where:
Base-Base interactions energy: -88.731
where: short stacking energy: -43.775
Base-Backbone interact. energy: -0.205
local terms energy: -66.346184
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -171.333531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.333531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.333531 (E_RNA)
where:
Base-Base interactions energy: -101.239
where: short stacking energy: -52.829
Base-Backbone interact. energy: -0.112
local terms energy: -69.983327
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -159.720373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.720373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.720373 (E_RNA)
where:
Base-Base interactions energy: -102.814
where: short stacking energy: -45.456
Base-Backbone interact. energy: -0.216
local terms energy: -56.690231
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -6.306
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: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -91.896404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.896404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.896404 (E_RNA)
where:
Base-Base interactions energy: -41.777
where: short stacking energy: -26.853
Base-Backbone interact. energy: -0.995
local terms energy: -49.124360
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: 1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -89.268901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.268901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.268901 (E_RNA)
where:
Base-Base interactions energy: -39.228
where: short stacking energy: -39.228
Base-Backbone interact. energy: -0.052
local terms energy: -49.989787
where:
bonds (distance) C4'-P energy: -7.160
bonds (distance) P-C4' energy: -8.072
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -77.923672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.923672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.923672 (E_RNA)
where:
Base-Base interactions energy: -30.535
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.123
local terms energy: -47.266207
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -0.976
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: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -81.777451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.777451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.777451 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -21.324
Base-Backbone interact. energy: -0.423
local terms energy: -48.717903
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -215.543120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.543120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.543120 (E_RNA)
where:
Base-Base interactions energy: -144.232
where: short stacking energy: -63.236
Base-Backbone interact. energy: -0.297
local terms energy: -71.013793
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -19.936
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: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -194.089159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.089159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.089159 (E_RNA)
where:
Base-Base interactions energy: -119.907
where: short stacking energy: -69.553
Base-Backbone interact. energy: -0.208
local terms energy: -73.974121
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -11.987
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: 3, replica: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -215.945338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.945338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.945338 (E_RNA)
where:
Base-Base interactions energy: -140.262
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.031
local terms energy: -75.651826
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -21.495
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: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -167.811104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.811104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.811104 (E_RNA)
where:
Base-Base interactions energy: -107.812
where: short stacking energy: -48.045
Base-Backbone interact. energy: -0.530
local terms energy: -59.468661
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -9.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -147.548634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.548634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.548634 (E_RNA)
where:
Base-Base interactions energy: -84.004
where: short stacking energy: -40.374
Base-Backbone interact. energy: 0.573
local terms energy: -64.117262
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -7.229
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: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -154.124631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.124631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.124631 (E_RNA)
where:
Base-Base interactions energy: -95.512
where: short stacking energy: -44.234
Base-Backbone interact. energy: -0.274
local terms energy: -58.338496
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -7.470
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: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -83.789283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.789283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.789283 (E_RNA)
where:
Base-Base interactions energy: -34.745
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.087
local terms energy: -48.957892
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -83.407178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.407178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.407178 (E_RNA)
where:
Base-Base interactions energy: -33.004
where: short stacking energy: -31.876
Base-Backbone interact. energy: -0.095
local terms energy: -50.307785
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -76.305885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.305885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.305885 (E_RNA)
where:
Base-Base interactions energy: -24.184
where: short stacking energy: -24.184
Base-Backbone interact. energy: 0.175
local terms energy: -52.296906
where:
bonds (distance) C4'-P energy: -5.845
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -3.143
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: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -85.306961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.306961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.306961 (E_RNA)
where:
Base-Base interactions energy: -32.605
where: short stacking energy: -24.653
Base-Backbone interact. energy: -0.306
local terms energy: -52.395122
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -221.541103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.541103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.541103 (E_RNA)
where:
Base-Base interactions energy: -147.221
where: short stacking energy: -70.818
Base-Backbone interact. energy: 0.071
local terms energy: -74.391182
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -216.106096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.106096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.106096 (E_RNA)
where:
Base-Base interactions energy: -141.991
where: short stacking energy: -58.827
Base-Backbone interact. energy: -0.271
local terms energy: -73.843601
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -183.331705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.331705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.331705 (E_RNA)
where:
Base-Base interactions energy: -116.275
where: short stacking energy: -52.681
Base-Backbone interact. energy: -0.545
local terms energy: -66.512456
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -8.617
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: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -174.192589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.192589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.192589 (E_RNA)
where:
Base-Base interactions energy: -109.006
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.915
local terms energy: -64.270996
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -168.137333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.137333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.137333 (E_RNA)
where:
Base-Base interactions energy: -99.951
where: short stacking energy: -57.154
Base-Backbone interact. energy: -0.398
local terms energy: -67.787978
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -13.457
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: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -164.858358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.858358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.858358 (E_RNA)
where:
Base-Base interactions energy: -100.660
where: short stacking energy: -57.458
Base-Backbone interact. energy: -0.257
local terms energy: -63.941536
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.358
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: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -93.950172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.950172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.950172 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -40.579
Base-Backbone interact. energy: 0.653
local terms energy: -53.644333
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.899
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: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -78.214210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.214210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.214210 (E_RNA)
where:
Base-Base interactions energy: -33.249
where: short stacking energy: -29.271
Base-Backbone interact. energy: 1.048
local terms energy: -46.013037
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -3.510
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: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -97.070357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.070357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.070357 (E_RNA)
where:
Base-Base interactions energy: -44.555
where: short stacking energy: -29.627
Base-Backbone interact. energy: -0.109
local terms energy: -52.405888
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -81.288549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.288549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.288549 (E_RNA)
where:
Base-Base interactions energy: -29.778
where: short stacking energy: -28.950
Base-Backbone interact. energy: 0.592
local terms energy: -52.102576
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -4.526
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: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -221.418038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.418038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.418038 (E_RNA)
where:
Base-Base interactions energy: -146.351
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.002
local terms energy: -75.065068
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -201.767351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.767351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.767351 (E_RNA)
where:
Base-Base interactions energy: -137.588
where: short stacking energy: -53.364
Base-Backbone interact. energy: 0.997
local terms energy: -65.176075
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -185.536127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.536127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.536127 (E_RNA)
where:
Base-Base interactions energy: -116.206
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.595
local terms energy: -68.735321
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -13.284
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: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -160.205886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.205886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.205886 (E_RNA)
where:
Base-Base interactions energy: -103.031
where: short stacking energy: -50.337
Base-Backbone interact. energy: -0.384
local terms energy: -56.791027
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -6.884
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: 58
Temperature: 1.100000
Total energy: -177.320749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.320749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.320749 (E_RNA)
where:
Base-Base interactions energy: -105.495
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.016
local terms energy: -71.809034
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -15.447
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: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -145.061476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.061476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.061476 (E_RNA)
where:
Base-Base interactions energy: -91.362
where: short stacking energy: -49.850
Base-Backbone interact. energy: -0.652
local terms energy: -53.046741
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -96.591852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.591852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.591852 (E_RNA)
where:
Base-Base interactions energy: -33.494
where: short stacking energy: -30.688
Base-Backbone interact. energy: -1.248
local terms energy: -61.849686
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -85.193770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.193770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.193770 (E_RNA)
where:
Base-Base interactions energy: -35.349
where: short stacking energy: -13.075
Base-Backbone interact. energy: -0.564
local terms energy: -49.280385
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -4.095
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: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -105.882595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.882595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.882595 (E_RNA)
where:
Base-Base interactions energy: -44.619
where: short stacking energy: -38.051
Base-Backbone interact. energy: 2.017
local terms energy: -63.280870
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -7.380
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: 58
Temperature: 1.350000
Total energy: -86.425689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.425689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.425689 (E_RNA)
where:
Base-Base interactions energy: -32.719
where: short stacking energy: -32.719
Base-Backbone interact. energy: -0.264
local terms energy: -53.442520
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -8.544
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: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -231.086852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.086852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.086852 (E_RNA)
where:
Base-Base interactions energy: -150.829
where: short stacking energy: -69.674
Base-Backbone interact. energy: -0.286
local terms energy: -79.972030
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -19.813
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: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -191.440858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.440858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.440858 (E_RNA)
where:
Base-Base interactions energy: -131.724
where: short stacking energy: -51.750
Base-Backbone interact. energy: -0.270
local terms energy: -59.446893
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -8.320
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -195.096807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.096807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.096807 (E_RNA)
where:
Base-Base interactions energy: -122.100
where: short stacking energy: -67.011
Base-Backbone interact. energy: -0.248
local terms energy: -72.749036
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -10.841
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: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -163.411384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.411384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.411384 (E_RNA)
where:
Base-Base interactions energy: -99.005
where: short stacking energy: -44.310
Base-Backbone interact. energy: -0.131
local terms energy: -64.275315
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -11.619
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: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -153.715267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.715267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.715267 (E_RNA)
where:
Base-Base interactions energy: -98.511
where: short stacking energy: -38.811
Base-Backbone interact. energy: -0.576
local terms energy: -54.628358
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -161.937174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.937174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.937174 (E_RNA)
where:
Base-Base interactions energy: -93.690
where: short stacking energy: -44.822
Base-Backbone interact. energy: -0.106
local terms energy: -68.141194
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -99.602419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.602419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.602419 (E_RNA)
where:
Base-Base interactions energy: -40.390
where: short stacking energy: -27.765
Base-Backbone interact. energy: -1.050
local terms energy: -58.161720
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -85.832000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.832000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.832000 (E_RNA)
where:
Base-Base interactions energy: -29.230
where: short stacking energy: -28.368
Base-Backbone interact. energy: -0.146
local terms energy: -56.455865
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -87.445949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.445949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.445949 (E_RNA)
where:
Base-Base interactions energy: -37.890
where: short stacking energy: -36.784
Base-Backbone interact. energy: -0.067
local terms energy: -49.489152
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -1.632
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -83.322768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.322768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.322768 (E_RNA)
where:
Base-Base interactions energy: -36.752
where: short stacking energy: -33.087
Base-Backbone interact. energy: -0.311
local terms energy: -46.259270
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -220.676625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.676625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.676625 (E_RNA)
where:
Base-Base interactions energy: -151.344
where: short stacking energy: -68.885
Base-Backbone interact. energy: -0.001
local terms energy: -69.332078
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -208.735633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.735633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.735633 (E_RNA)
where:
Base-Base interactions energy: -152.324
where: short stacking energy: -48.434
Base-Backbone interact. energy: -0.329
local terms energy: -56.082584
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -199.904260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.904260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.904260 (E_RNA)
where:
Base-Base interactions energy: -123.506
where: short stacking energy: -75.330
Base-Backbone interact. energy: -0.037
local terms energy: -76.360744
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -21.662
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: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -164.032360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.032360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.032360 (E_RNA)
where:
Base-Base interactions energy: -102.774
where: short stacking energy: -43.812
Base-Backbone interact. energy: 1.202
local terms energy: -62.459521
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -187.298762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.298762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.298762 (E_RNA)
where:
Base-Base interactions energy: -117.028
where: short stacking energy: -58.680
Base-Backbone interact. energy: 0.469
local terms energy: -70.739495
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -146.497709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.497709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.497709 (E_RNA)
where:
Base-Base interactions energy: -84.510
where: short stacking energy: -49.552
Base-Backbone interact. energy: -0.050
local terms energy: -61.937470
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -11.061
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: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -85.376084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.376084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.376084 (E_RNA)
where:
Base-Base interactions energy: -29.705
where: short stacking energy: -25.193
Base-Backbone interact. energy: -0.110
local terms energy: -55.560646
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -93.819762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.819762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.819762 (E_RNA)
where:
Base-Base interactions energy: -39.767
where: short stacking energy: -30.073
Base-Backbone interact. energy: -0.281
local terms energy: -53.772454
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -5.815
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: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -76.449513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.449513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.449513 (E_RNA)
where:
Base-Base interactions energy: -22.080
where: short stacking energy: -18.804
Base-Backbone interact. energy: -0.264
local terms energy: -54.104823
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -82.161063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.161063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.161063 (E_RNA)
where:
Base-Base interactions energy: -43.025
where: short stacking energy: -16.573
Base-Backbone interact. energy: -0.474
local terms energy: -38.662265
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -2.747
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: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -230.545487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.545487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.545487 (E_RNA)
where:
Base-Base interactions energy: -153.425
where: short stacking energy: -78.119
Base-Backbone interact. energy: -0.240
local terms energy: -76.879690
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -193.287087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.287087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.287087 (E_RNA)
where:
Base-Base interactions energy: -112.834
where: short stacking energy: -66.970
Base-Backbone interact. energy: -0.012
local terms energy: -80.441382
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -194.821877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.821877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.821877 (E_RNA)
where:
Base-Base interactions energy: -134.168
where: short stacking energy: -46.515
Base-Backbone interact. energy: -0.575
local terms energy: -60.078316
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -185.578787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.578787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.578787 (E_RNA)
where:
Base-Base interactions energy: -108.820
where: short stacking energy: -53.540
Base-Backbone interact. energy: -0.008
local terms energy: -76.750836
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -172.583981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.583981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.583981 (E_RNA)
where:
Base-Base interactions energy: -99.862
where: short stacking energy: -51.446
Base-Backbone interact. energy: -0.555
local terms energy: -72.166832
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -12.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -98.963936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.963936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.963936 (E_RNA)
where:
Base-Base interactions energy: -41.723
where: short stacking energy: -41.375
Base-Backbone interact. energy: -0.179
local terms energy: -57.062245
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -152.329954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.329954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.329954 (E_RNA)
where:
Base-Base interactions energy: -90.843
where: short stacking energy: -50.580
Base-Backbone interact. energy: -0.649
local terms energy: -60.837753
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -91.458056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.458056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.458056 (E_RNA)
where:
Base-Base interactions energy: -37.061
where: short stacking energy: -32.437
Base-Backbone interact. energy: -0.270
local terms energy: -54.127142
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -74.124617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.124617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.124617 (E_RNA)
where:
Base-Base interactions energy: -28.834
where: short stacking energy: -21.456
Base-Backbone interact. energy: 1.857
local terms energy: -47.147271
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -0.631
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: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -72.504501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.504501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.504501 (E_RNA)
where:
Base-Base interactions energy: -26.812
where: short stacking energy: -20.911
Base-Backbone interact. energy: -0.225
local terms energy: -45.467746
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -203.308229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.308229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.308229 (E_RNA)
where:
Base-Base interactions energy: -130.737
where: short stacking energy: -71.393
Base-Backbone interact. energy: -0.004
local terms energy: -72.567410
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -220.113804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.113804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.113804 (E_RNA)
where:
Base-Base interactions energy: -149.102
where: short stacking energy: -61.935
Base-Backbone interact. energy: -0.751
local terms energy: -70.260815
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -204.800940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.800940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.800940 (E_RNA)
where:
Base-Base interactions energy: -146.573
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.092
local terms energy: -58.135912
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -184.130498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.130498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.130498 (E_RNA)
where:
Base-Base interactions energy: -108.248
where: short stacking energy: -59.899
Base-Backbone interact. energy: -0.647
local terms energy: -75.236216
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -164.318678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.318678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.318678 (E_RNA)
where:
Base-Base interactions energy: -97.145
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.058
local terms energy: -67.115815
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -99.364772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.364772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.364772 (E_RNA)
where:
Base-Base interactions energy: -51.768
where: short stacking energy: -45.357
Base-Backbone interact. energy: -0.021
local terms energy: -47.575635
where:
bonds (distance) C4'-P energy: -4.854
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -143.531061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.531061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.531061 (E_RNA)
where:
Base-Base interactions energy: -86.831
where: short stacking energy: -41.187
Base-Backbone interact. energy: -0.203
local terms energy: -56.496092
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -88.285598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.285598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.285598 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -35.585
Base-Backbone interact. energy: -0.161
local terms energy: -52.538969
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -5.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -81.825146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.825146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.825146 (E_RNA)
where:
Base-Base interactions energy: -43.514
where: short stacking energy: -33.201
Base-Backbone interact. energy: -0.127
local terms energy: -38.184227
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: 3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -80.938164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.938164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.938164 (E_RNA)
where:
Base-Base interactions energy: -31.513
where: short stacking energy: -25.099
Base-Backbone interact. energy: 0.252
local terms energy: -49.677862
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -208.505264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.505264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.505264 (E_RNA)
where:
Base-Base interactions energy: -134.846
where: short stacking energy: -78.045
Base-Backbone interact. energy: -0.017
local terms energy: -73.642349
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -213.155376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.155376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.155376 (E_RNA)
where:
Base-Base interactions energy: -142.805
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.089
local terms energy: -70.261880
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -221.009749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.009749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.009749 (E_RNA)
where:
Base-Base interactions energy: -141.313
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.985
local terms energy: -78.711835
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -194.704296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.704296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.704296 (E_RNA)
where:
Base-Base interactions energy: -123.872
where: short stacking energy: -64.789
Base-Backbone interact. energy: 0.789
local terms energy: -71.621267
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -176.618077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.618077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.618077 (E_RNA)
where:
Base-Base interactions energy: -101.859
where: short stacking energy: -53.094
Base-Backbone interact. energy: -0.206
local terms energy: -74.552688
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -169.244058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.244058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.244058 (E_RNA)
where:
Base-Base interactions energy: -104.999
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.002
local terms energy: -64.242271
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -104.179742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.179742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.179742 (E_RNA)
where:
Base-Base interactions energy: -43.041
where: short stacking energy: -29.432
Base-Backbone interact. energy: -0.177
local terms energy: -60.962382
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -80.594614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.594614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.594614 (E_RNA)
where:
Base-Base interactions energy: -30.215
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.291
local terms energy: -50.088529
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -92.011115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.011115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.011115 (E_RNA)
where:
Base-Base interactions energy: -49.852
where: short stacking energy: -26.513
Base-Backbone interact. energy: -0.061
local terms energy: -42.097512
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -7.927
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -86.088469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.088469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.088469 (E_RNA)
where:
Base-Base interactions energy: -34.184
where: short stacking energy: -26.856
Base-Backbone interact. energy: -0.004
local terms energy: -51.900731
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -217.198337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.198337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.198337 (E_RNA)
where:
Base-Base interactions energy: -144.436
where: short stacking energy: -66.391
Base-Backbone interact. energy: -0.022
local terms energy: -72.740612
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -186.485142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.485142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.485142 (E_RNA)
where:
Base-Base interactions energy: -116.115
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.002
local terms energy: -70.368457
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -17.502
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: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -219.614224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.614224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.614224 (E_RNA)
where:
Base-Base interactions energy: -145.949
where: short stacking energy: -67.635
Base-Backbone interact. energy: -1.485
local terms energy: -72.180324
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -21.512
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: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -184.897024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.897024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.897024 (E_RNA)
where:
Base-Base interactions energy: -111.910
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.289
local terms energy: -72.698015
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -170.840697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.840697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.840697 (E_RNA)
where:
Base-Base interactions energy: -102.965
where: short stacking energy: -52.167
Base-Backbone interact. energy: -0.119
local terms energy: -67.757504
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -13.093
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: 64
Temperature: 1.150000
Total energy: -171.907667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.907667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.907667 (E_RNA)
where:
Base-Base interactions energy: -106.875
where: short stacking energy: -48.951
Base-Backbone interact. energy: -0.081
local terms energy: -64.952150
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -15.898
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: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -87.798774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.798774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.798774 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -28.346
Base-Backbone interact. energy: -0.130
local terms energy: -51.742612
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -8.229
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -93.594591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.594591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.594591 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.102
local terms energy: -54.918080
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -8.891
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: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -81.430305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.430305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.430305 (E_RNA)
where:
Base-Base interactions energy: -34.859
where: short stacking energy: -28.958
Base-Backbone interact. energy: -0.174
local terms energy: -46.397476
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -88.103747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.103747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.103747 (E_RNA)
where:
Base-Base interactions energy: -26.169
where: short stacking energy: -26.169
Base-Backbone interact. energy: -1.018
local terms energy: -60.916704
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -11.131
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: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -230.165677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.165677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.165677 (E_RNA)
where:
Base-Base interactions energy: -150.843
where: short stacking energy: -79.109
Base-Backbone interact. energy: -0.034
local terms energy: -79.288813
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -22.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -221.316285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.316285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.316285 (E_RNA)
where:
Base-Base interactions energy: -140.994
where: short stacking energy: -65.711
Base-Backbone interact. energy: -2.172
local terms energy: -78.150580
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -20.855
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: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -184.262007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.262007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.262007 (E_RNA)
where:
Base-Base interactions energy: -110.514
where: short stacking energy: -66.685
Base-Backbone interact. energy: -0.562
local terms energy: -73.186040
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -8.645
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: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -199.318061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.318061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.318061 (E_RNA)
where:
Base-Base interactions energy: -123.345
where: short stacking energy: -72.403
Base-Backbone interact. energy: -1.204
local terms energy: -74.769029
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -21.137
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: 65
Temperature: 1.100000
Total energy: -177.154682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.154682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.154682 (E_RNA)
where:
Base-Base interactions energy: -112.879
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.571
local terms energy: -63.704447
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -178.055342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.055342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.055342 (E_RNA)
where:
Base-Base interactions energy: -116.068
where: short stacking energy: -47.870
Base-Backbone interact. energy: -0.065
local terms energy: -61.922941
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -89.980443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.980443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.980443 (E_RNA)
where:
Base-Base interactions energy: -38.689
where: short stacking energy: -36.128
Base-Backbone interact. energy: 0.850
local terms energy: -52.141683
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -80.519233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.519233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.519233 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -29.699
Base-Backbone interact. energy: -0.127
local terms energy: -50.294769
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -84.876635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.876635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.876635 (E_RNA)
where:
Base-Base interactions energy: -30.178
where: short stacking energy: -27.030
Base-Backbone interact. energy: -0.020
local terms energy: -54.678235
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -11.634
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: 10, replica: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -80.414956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.414956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.414956 (E_RNA)
where:
Base-Base interactions energy: -28.411
where: short stacking energy: -25.024
Base-Backbone interact. energy: -0.110
local terms energy: -51.894027
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -225.517454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.517454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.517454 (E_RNA)
where:
Base-Base interactions energy: -150.010
where: short stacking energy: -67.167
Base-Backbone interact. energy: 1.428
local terms energy: -76.935261
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -220.120415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.120415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.120415 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -71.480
Base-Backbone interact. energy: -0.013
local terms energy: -73.670556
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -180.671473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.671473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.671473 (E_RNA)
where:
Base-Base interactions energy: -100.987
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.278
local terms energy: -79.406928
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -182.525325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.525325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.525325 (E_RNA)
where:
Base-Base interactions energy: -123.273
where: short stacking energy: -57.849
Base-Backbone interact. energy: -0.039
local terms energy: -59.213046
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -176.868531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.868531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.868531 (E_RNA)
where:
Base-Base interactions energy: -107.930
where: short stacking energy: -51.887
Base-Backbone interact. energy: -0.214
local terms energy: -68.724964
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -155.972120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.972120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.972120 (E_RNA)
where:
Base-Base interactions energy: -98.527
where: short stacking energy: -46.232
Base-Backbone interact. energy: -0.220
local terms energy: -57.225038
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -106.795180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.795180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.795180 (E_RNA)
where:
Base-Base interactions energy: -49.496
where: short stacking energy: -32.903
Base-Backbone interact. energy: -0.047
local terms energy: -57.251820
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -87.939302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.939302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.939302 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -31.346
Base-Backbone interact. energy: -0.120
local terms energy: -56.473365
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -83.240375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.240375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.240375 (E_RNA)
where:
Base-Base interactions energy: -32.431
where: short stacking energy: -22.596
Base-Backbone interact. energy: -0.073
local terms energy: -50.737030
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -8.052
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: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -75.422721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.422721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.422721 (E_RNA)
where:
Base-Base interactions energy: -26.158
where: short stacking energy: -23.880
Base-Backbone interact. energy: -0.202
local terms energy: -49.062400
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -10.192
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: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -236.196011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.196011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.196011 (E_RNA)
where:
Base-Base interactions energy: -151.752
where: short stacking energy: -77.528
Base-Backbone interact. energy: -0.275
local terms energy: -84.168297
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -24.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -221.865365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.865365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.865365 (E_RNA)
where:
Base-Base interactions energy: -139.681
where: short stacking energy: -64.583
Base-Backbone interact. energy: -1.590
local terms energy: -80.594416
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -19.884
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: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -189.746278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.746278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.746278 (E_RNA)
where:
Base-Base interactions energy: -114.591
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.065
local terms energy: -75.090972
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -10.260
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: 67
Temperature: 1.050000
Total energy: -189.325221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.325221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.325221 (E_RNA)
where:
Base-Base interactions energy: -120.351
where: short stacking energy: -67.853
Base-Backbone interact. energy: -0.591
local terms energy: -68.383126
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -180.324061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.324061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.324061 (E_RNA)
where:
Base-Base interactions energy: -107.957
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.271
local terms energy: -72.096704
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -139.280592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.280592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.280592 (E_RNA)
where:
Base-Base interactions energy: -84.929
where: short stacking energy: -42.524
Base-Backbone interact. energy: -0.412
local terms energy: -53.939642
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -96.904859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.904859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.904859 (E_RNA)
where:
Base-Base interactions energy: -47.045
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.398
local terms energy: -49.461649
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -82.456215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.456215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.456215 (E_RNA)
where:
Base-Base interactions energy: -29.513
where: short stacking energy: -29.513
Base-Backbone interact. energy: -0.031
local terms energy: -52.911803
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -75.791365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.791365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.791365 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -30.923
Base-Backbone interact. energy: -0.265
local terms energy: -44.603190
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -79.075415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.075415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.075415 (E_RNA)
where:
Base-Base interactions energy: -32.136
where: short stacking energy: -32.136
Base-Backbone interact. energy: -0.127
local terms energy: -46.811939
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -223.610350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.610350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.610350 (E_RNA)
where:
Base-Base interactions energy: -143.277
where: short stacking energy: -71.283
Base-Backbone interact. energy: -0.330
local terms energy: -80.003655
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -224.085130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.085130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.085130 (E_RNA)
where:
Base-Base interactions energy: -145.616
where: short stacking energy: -78.108
Base-Backbone interact. energy: -0.000
local terms energy: -78.468393
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -184.023446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.023446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.023446 (E_RNA)
where:
Base-Base interactions energy: -107.652
where: short stacking energy: -65.014
Base-Backbone interact. energy: -0.105
local terms energy: -76.266460
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -176.515526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.515526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.515526 (E_RNA)
where:
Base-Base interactions energy: -109.637
where: short stacking energy: -51.881
Base-Backbone interact. energy: -0.067
local terms energy: -66.811576
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -165.968944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.968944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.968944 (E_RNA)
where:
Base-Base interactions energy: -103.944
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.112
local terms energy: -61.912446
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -160.682433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.682433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.682433 (E_RNA)
where:
Base-Base interactions energy: -91.990
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.206
local terms energy: -68.486503
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -10.733
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: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -105.215607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.215607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.215607 (E_RNA)
where:
Base-Base interactions energy: -43.523
where: short stacking energy: -43.523
Base-Backbone interact. energy: -0.196
local terms energy: -61.495874
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -7.966
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: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -101.030229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.030229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.030229 (E_RNA)
where:
Base-Base interactions energy: -44.514
where: short stacking energy: -44.514
Base-Backbone interact. energy: 1.175
local terms energy: -57.691524
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -89.170319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.170319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.170319 (E_RNA)
where:
Base-Base interactions energy: -32.509
where: short stacking energy: -31.962
Base-Backbone interact. energy: 1.281
local terms energy: -57.943126
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -78.268352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.268352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.268352 (E_RNA)
where:
Base-Base interactions energy: -34.629
where: short stacking energy: -29.261
Base-Backbone interact. energy: -0.165
local terms energy: -43.474985
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -3.403
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: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -225.916276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.916276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.916276 (E_RNA)
where:
Base-Base interactions energy: -146.832
where: short stacking energy: -71.863
Base-Backbone interact. energy: -1.227
local terms energy: -77.856806
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -230.867631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.867631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.867631 (E_RNA)
where:
Base-Base interactions energy: -153.598
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.002
local terms energy: -77.267836
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -167.245127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.245127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.245127 (E_RNA)
where:
Base-Base interactions energy: -95.566
where: short stacking energy: -52.734
Base-Backbone interact. energy: 0.681
local terms energy: -72.360363
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -154.130384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.130384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.130384 (E_RNA)
where:
Base-Base interactions energy: -88.761
where: short stacking energy: -41.879
Base-Backbone interact. energy: 1.044
local terms energy: -66.413534
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -173.776683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.776683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.776683 (E_RNA)
where:
Base-Base interactions energy: -107.047
where: short stacking energy: -60.037
Base-Backbone interact. energy: -1.173
local terms energy: -65.556840
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -172.113571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.113571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.113571 (E_RNA)
where:
Base-Base interactions energy: -107.270
where: short stacking energy: -56.507
Base-Backbone interact. energy: -0.006
local terms energy: -64.837471
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -96.553780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.553780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.553780 (E_RNA)
where:
Base-Base interactions energy: -52.734
where: short stacking energy: -31.990
Base-Backbone interact. energy: 1.712
local terms energy: -45.531317
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -104.628715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.628715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.628715 (E_RNA)
where:
Base-Base interactions energy: -59.672
where: short stacking energy: -30.172
Base-Backbone interact. energy: -0.302
local terms energy: -44.654702
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -87.719631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.719631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.719631 (E_RNA)
where:
Base-Base interactions energy: -33.689
where: short stacking energy: -26.237
Base-Backbone interact. energy: -0.879
local terms energy: -53.151691
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -79.266871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.266871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.266871 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -35.655
Base-Backbone interact. energy: -0.153
local terms energy: -43.458970
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -3.633
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: 1, replica: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -225.169339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.169339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.169339 (E_RNA)
where:
Base-Base interactions energy: -144.196
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.010
local terms energy: -80.962630
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -218.294353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.294353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.294353 (E_RNA)
where:
Base-Base interactions energy: -144.791
where: short stacking energy: -65.790
Base-Backbone interact. energy: -0.027
local terms energy: -73.477205
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -17.778
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: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -170.960397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.960397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.960397 (E_RNA)
where:
Base-Base interactions energy: -103.148
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.579
local terms energy: -67.233472
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -6.856
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: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -152.701090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.701090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.701090 (E_RNA)
where:
Base-Base interactions energy: -90.798
where: short stacking energy: -46.532
Base-Backbone interact. energy: -0.243
local terms energy: -61.660137
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -171.924022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.924022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.924022 (E_RNA)
where:
Base-Base interactions energy: -99.328
where: short stacking energy: -50.778
Base-Backbone interact. energy: -0.590
local terms energy: -72.005937
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.097
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: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -176.993366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.993366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.993366 (E_RNA)
where:
Base-Base interactions energy: -106.724
where: short stacking energy: -54.232
Base-Backbone interact. energy: -0.141
local terms energy: -70.128450
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -18.493
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: 70
Temperature: 1.200000
Total energy: -81.053622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.053622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.053622 (E_RNA)
where:
Base-Base interactions energy: -33.821
where: short stacking energy: -24.683
Base-Backbone interact. energy: -0.189
local terms energy: -47.044306
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: 1.973
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: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -81.844934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.844934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.844934 (E_RNA)
where:
Base-Base interactions energy: -36.820
where: short stacking energy: -24.130
Base-Backbone interact. energy: -0.222
local terms energy: -44.802240
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -1.021
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: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -78.757646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.757646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.757646 (E_RNA)
where:
Base-Base interactions energy: -22.727
where: short stacking energy: -22.727
Base-Backbone interact. energy: -0.106
local terms energy: -55.923920
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -5.446
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: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -79.249165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.249165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.249165 (E_RNA)
where:
Base-Base interactions energy: -25.022
where: short stacking energy: -20.982
Base-Backbone interact. energy: -0.186
local terms energy: -54.041344
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -227.285376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.285376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.285376 (E_RNA)
where:
Base-Base interactions energy: -146.045
where: short stacking energy: -74.176
Base-Backbone interact. energy: -0.011
local terms energy: -81.229520
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -218.900594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.900594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.900594 (E_RNA)
where:
Base-Base interactions energy: -145.287
where: short stacking energy: -75.981
Base-Backbone interact. energy: -0.007
local terms energy: -73.607098
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -11.550
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: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -189.092007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.092007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.092007 (E_RNA)
where:
Base-Base interactions energy: -119.693
where: short stacking energy: -75.688
Base-Backbone interact. energy: -0.007
local terms energy: -69.392015
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -183.933615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.933615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.933615 (E_RNA)
where:
Base-Base interactions energy: -118.141
where: short stacking energy: -51.053
Base-Backbone interact. energy: -0.608
local terms energy: -65.184041
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -8.695
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: 5, replica: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -163.985980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.985980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.985980 (E_RNA)
where:
Base-Base interactions energy: -97.443
where: short stacking energy: -43.514
Base-Backbone interact. energy: -1.384
local terms energy: -65.159387
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -164.792408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.792408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.792408 (E_RNA)
where:
Base-Base interactions energy: -100.199
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.127
local terms energy: -64.466616
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -92.802609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.802609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.802609 (E_RNA)
where:
Base-Base interactions energy: -47.935
where: short stacking energy: -30.150
Base-Backbone interact. energy: -0.109
local terms energy: -44.758608
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -82.886267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.886267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.886267 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -30.347
Base-Backbone interact. energy: -0.105
local terms energy: -46.067333
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -92.426458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.426458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.426458 (E_RNA)
where:
Base-Base interactions energy: -37.380
where: short stacking energy: -23.343
Base-Backbone interact. energy: -0.119
local terms energy: -54.926600
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -7.885
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: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -90.241874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.241874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.241874 (E_RNA)
where:
Base-Base interactions energy: -37.152
where: short stacking energy: -34.317
Base-Backbone interact. energy: -0.197
local terms energy: -52.892809
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -2.746
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: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -220.671033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.671033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.671033 (E_RNA)
where:
Base-Base interactions energy: -142.558
where: short stacking energy: -75.245
Base-Backbone interact. energy: -0.018
local terms energy: -78.094518
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -20.189
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: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -219.936560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.936560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.936560 (E_RNA)
where:
Base-Base interactions energy: -145.082
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.011
local terms energy: -74.844464
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -189.669902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.669902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.669902 (E_RNA)
where:
Base-Base interactions energy: -113.803
where: short stacking energy: -63.549
Base-Backbone interact. energy: -0.005
local terms energy: -75.862298
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -168.712513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.712513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.712513 (E_RNA)
where:
Base-Base interactions energy: -109.122
where: short stacking energy: -45.711
Base-Backbone interact. energy: -0.896
local terms energy: -58.694329
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -165.354121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.354121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.354121 (E_RNA)
where:
Base-Base interactions energy: -103.751
where: short stacking energy: -53.757
Base-Backbone interact. energy: -0.519
local terms energy: -61.084306
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -8.800
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: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -164.684920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.684920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.684920 (E_RNA)
where:
Base-Base interactions energy: -99.295
where: short stacking energy: -54.119
Base-Backbone interact. energy: 0.034
local terms energy: -65.423494
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -9.350
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: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -98.280599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.280599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.280599 (E_RNA)
where:
Base-Base interactions energy: -43.676
where: short stacking energy: -35.736
Base-Backbone interact. energy: -0.235
local terms energy: -54.369762
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -88.164531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.164531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.164531 (E_RNA)
where:
Base-Base interactions energy: -38.933
where: short stacking energy: -29.082
Base-Backbone interact. energy: -0.178
local terms energy: -49.053856
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -93.139223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.139223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.139223 (E_RNA)
where:
Base-Base interactions energy: -48.675
where: short stacking energy: -26.533
Base-Backbone interact. energy: 4.100
local terms energy: -48.564592
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -9.795
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: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -83.362006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.362006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.362006 (E_RNA)
where:
Base-Base interactions energy: -29.677
where: short stacking energy: -27.786
Base-Backbone interact. energy: 0.984
local terms energy: -54.668724
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -2.007
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: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -224.800401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.800401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.800401 (E_RNA)
where:
Base-Base interactions energy: -146.513
where: short stacking energy: -75.940
Base-Backbone interact. energy: -0.008
local terms energy: -78.279344
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -22.418
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: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -222.557107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.557107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.557107 (E_RNA)
where:
Base-Base interactions energy: -144.104
where: short stacking energy: -69.789
Base-Backbone interact. energy: 1.393
local terms energy: -79.846589
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -168.604347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.604347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.604347 (E_RNA)
where:
Base-Base interactions energy: -108.738
where: short stacking energy: -51.253
Base-Backbone interact. energy: -0.634
local terms energy: -59.232193
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -184.359094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.359094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.359094 (E_RNA)
where:
Base-Base interactions energy: -117.601
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.003
local terms energy: -66.755452
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -176.216881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.216881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.216881 (E_RNA)
where:
Base-Base interactions energy: -107.732
where: short stacking energy: -51.950
Base-Backbone interact. energy: -1.818
local terms energy: -66.666443
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -166.476353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.476353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.476353 (E_RNA)
where:
Base-Base interactions energy: -96.707
where: short stacking energy: -43.897
Base-Backbone interact. energy: -1.755
local terms energy: -68.014416
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -100.259784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.259784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.259784 (E_RNA)
where:
Base-Base interactions energy: -49.405
where: short stacking energy: -46.222
Base-Backbone interact. energy: -0.081
local terms energy: -50.773530
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -91.683572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.683572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.683572 (E_RNA)
where:
Base-Base interactions energy: -42.226
where: short stacking energy: -37.014
Base-Backbone interact. energy: -0.115
local terms energy: -49.342756
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -85.836102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.836102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.836102 (E_RNA)
where:
Base-Base interactions energy: -27.674
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.016
local terms energy: -58.146183
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -10.371
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: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -81.222522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.222522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.222522 (E_RNA)
where:
Base-Base interactions energy: -30.538
where: short stacking energy: -29.259
Base-Backbone interact. energy: -0.928
local terms energy: -49.756697
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -2.745
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: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -225.636453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.636453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.636453 (E_RNA)
where:
Base-Base interactions energy: -145.658
where: short stacking energy: -69.843
Base-Backbone interact. energy: -1.342
local terms energy: -78.636161
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -10.797
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: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -221.473376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.473376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.473376 (E_RNA)
where:
Base-Base interactions energy: -149.966
where: short stacking energy: -58.543
Base-Backbone interact. energy: -0.346
local terms energy: -71.161475
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -179.397149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.397149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.397149 (E_RNA)
where:
Base-Base interactions energy: -110.492
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.079
local terms energy: -68.826946
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -172.759879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.759879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.759879 (E_RNA)
where:
Base-Base interactions energy: -112.152
where: short stacking energy: -38.374
Base-Backbone interact. energy: -1.897
local terms energy: -58.710848
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -181.404010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.404010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.404010 (E_RNA)
where:
Base-Base interactions energy: -125.815
where: short stacking energy: -43.454
Base-Backbone interact. energy: -1.259
local terms energy: -54.330288
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -147.419017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.419017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.419017 (E_RNA)
where:
Base-Base interactions energy: -79.924
where: short stacking energy: -51.752
Base-Backbone interact. energy: -1.332
local terms energy: -66.162158
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -91.781789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.781789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.781789 (E_RNA)
where:
Base-Base interactions energy: -41.649
where: short stacking energy: -31.511
Base-Backbone interact. energy: -0.044
local terms energy: -50.089020
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -101.807429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.807429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.807429 (E_RNA)
where:
Base-Base interactions energy: -43.690
where: short stacking energy: -42.870
Base-Backbone interact. energy: -0.100
local terms energy: -58.017700
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -3.467
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: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -81.977533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.977533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.977533 (E_RNA)
where:
Base-Base interactions energy: -28.186
where: short stacking energy: -13.533
Base-Backbone interact. energy: -0.338
local terms energy: -53.453659
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: 1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -93.200034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.200034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.200034 (E_RNA)
where:
Base-Base interactions energy: -39.482
where: short stacking energy: -19.957
Base-Backbone interact. energy: -0.509
local terms energy: -53.208568
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -219.481856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.481856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.481856 (E_RNA)
where:
Base-Base interactions energy: -144.690
where: short stacking energy: -61.241
Base-Backbone interact. energy: -0.662
local terms energy: -74.129456
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -212.036517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.036517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.036517 (E_RNA)
where:
Base-Base interactions energy: -143.108
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.111
local terms energy: -68.817686
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -196.864716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.864716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.864716 (E_RNA)
where:
Base-Base interactions energy: -121.479
where: short stacking energy: -71.021
Base-Backbone interact. energy: -0.577
local terms energy: -74.809232
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -189.798588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.798588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.798588 (E_RNA)
where:
Base-Base interactions energy: -134.854
where: short stacking energy: -50.639
Base-Backbone interact. energy: -0.573
local terms energy: -54.371180
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -193.163779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.163779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.163779 (E_RNA)
where:
Base-Base interactions energy: -129.087
where: short stacking energy: -53.428
Base-Backbone interact. energy: -0.878
local terms energy: -63.198248
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -5.741
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: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -147.355878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.355878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.355878 (E_RNA)
where:
Base-Base interactions energy: -87.631
where: short stacking energy: -38.218
Base-Backbone interact. energy: -0.393
local terms energy: -59.331567
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -105.334292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.334292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.334292 (E_RNA)
where:
Base-Base interactions energy: -44.308
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.125
local terms energy: -60.902110
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -8.416
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: 75
Temperature: 1.250000
Total energy: -91.364625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.364625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.364625 (E_RNA)
where:
Base-Base interactions energy: -45.727
where: short stacking energy: -23.878
Base-Backbone interact. energy: -0.278
local terms energy: -45.359364
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -98.257623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.257623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.257623 (E_RNA)
where:
Base-Base interactions energy: -53.253
where: short stacking energy: -27.845
Base-Backbone interact. energy: 0.156
local terms energy: -45.160182
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -4.016
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: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -76.421484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.421484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.421484 (E_RNA)
where:
Base-Base interactions energy: -20.688
where: short stacking energy: -17.816
Base-Backbone interact. energy: -1.164
local terms energy: -54.569082
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -213.950183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.950183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.950183 (E_RNA)
where:
Base-Base interactions energy: -138.795
where: short stacking energy: -68.538
Base-Backbone interact. energy: -0.799
local terms energy: -74.355455
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -7.809
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: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -209.303050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.303050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.303050 (E_RNA)
where:
Base-Base interactions energy: -137.615
where: short stacking energy: -61.928
Base-Backbone interact. energy: -0.257
local terms energy: -71.430172
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -16.180
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: 76
Temperature: 1.000000
Total energy: -188.755240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.755240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.755240 (E_RNA)
where:
Base-Base interactions energy: -124.031
where: short stacking energy: -70.959
Base-Backbone interact. energy: -0.618
local terms energy: -64.105914
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -184.619780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.619780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.619780 (E_RNA)
where:
Base-Base interactions energy: -122.079
where: short stacking energy: -47.325
Base-Backbone interact. energy: -0.512
local terms energy: -62.029149
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -8.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -161.764951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.764951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.764951 (E_RNA)
where:
Base-Base interactions energy: -94.877
where: short stacking energy: -58.005
Base-Backbone interact. energy: -0.219
local terms energy: -66.669177
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.259
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: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -186.794728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.794728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.794728 (E_RNA)
where:
Base-Base interactions energy: -135.273
where: short stacking energy: -50.917
Base-Backbone interact. energy: 0.407
local terms energy: -51.929199
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -113.317691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.317691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.317691 (E_RNA)
where:
Base-Base interactions energy: -56.937
where: short stacking energy: -41.330
Base-Backbone interact. energy: -0.016
local terms energy: -56.364796
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -88.640965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.640965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.640965 (E_RNA)
where:
Base-Base interactions energy: -44.595
where: short stacking energy: -20.792
Base-Backbone interact. energy: -0.617
local terms energy: -43.429039
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: 4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -80.491606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.491606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.491606 (E_RNA)
where:
Base-Base interactions energy: -28.259
where: short stacking energy: -28.259
Base-Backbone interact. energy: -0.024
local terms energy: -52.208677
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -76.632998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.632998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.632998 (E_RNA)
where:
Base-Base interactions energy: -33.106
where: short stacking energy: -25.184
Base-Backbone interact. energy: -0.377
local terms energy: -43.149493
where:
bonds (distance) C4'-P energy: -5.391
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -6.560
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: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -224.952067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.952067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.952067 (E_RNA)
where:
Base-Base interactions energy: -141.817
where: short stacking energy: -69.220
Base-Backbone interact. energy: -0.165
local terms energy: -82.970318
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -196.816391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.816391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.816391 (E_RNA)
where:
Base-Base interactions energy: -122.211
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.043
local terms energy: -74.561877
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -207.817124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.817124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.817124 (E_RNA)
where:
Base-Base interactions energy: -137.160
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.802
local terms energy: -69.854946
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -16.882
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: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -141.809679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.809679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.809679 (E_RNA)
where:
Base-Base interactions energy: -76.380
where: short stacking energy: -44.950
Base-Backbone interact. energy: -0.145
local terms energy: -65.284148
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -12.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -172.125013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.125013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.125013 (E_RNA)
where:
Base-Base interactions energy: -119.008
where: short stacking energy: -55.497
Base-Backbone interact. energy: -0.804
local terms energy: -52.313173
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -138.818042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.818042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.818042 (E_RNA)
where:
Base-Base interactions energy: -80.913
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.093
local terms energy: -57.812234
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -147.057948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.057948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.057948 (E_RNA)
where:
Base-Base interactions energy: -84.002
where: short stacking energy: -46.668
Base-Backbone interact. energy: 0.381
local terms energy: -63.436490
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -93.138240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.138240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.138240 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -43.354
Base-Backbone interact. energy: -0.108
local terms energy: -48.816713
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -78.243770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.243770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.243770 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -24.782
Base-Backbone interact. energy: -0.010
local terms energy: -47.624415
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -8.331
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -90.526781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.526781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.526781 (E_RNA)
where:
Base-Base interactions energy: -42.378
where: short stacking energy: -31.960
Base-Backbone interact. energy: -0.695
local terms energy: -47.453622
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -2.923
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: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -221.293043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.293043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.293043 (E_RNA)
where:
Base-Base interactions energy: -145.413
where: short stacking energy: -77.052
Base-Backbone interact. energy: 0.180
local terms energy: -76.059478
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -193.786835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.786835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.786835 (E_RNA)
where:
Base-Base interactions energy: -115.351
where: short stacking energy: -67.170
Base-Backbone interact. energy: -0.101
local terms energy: -78.334646
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -14.279
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: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -203.761643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.761643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.761643 (E_RNA)
where:
Base-Base interactions energy: -142.103
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.825
local terms energy: -60.833938
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -169.491935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.491935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.491935 (E_RNA)
where:
Base-Base interactions energy: -111.403
where: short stacking energy: -55.553
Base-Backbone interact. energy: -0.066
local terms energy: -58.023607
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -155.611390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.611390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.611390 (E_RNA)
where:
Base-Base interactions energy: -89.548
where: short stacking energy: -58.644
Base-Backbone interact. energy: -0.193
local terms energy: -65.870819
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -148.596583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.596583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.596583 (E_RNA)
where:
Base-Base interactions energy: -88.759
where: short stacking energy: -34.944
Base-Backbone interact. energy: -1.183
local terms energy: -58.654267
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -12.060
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: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -99.398713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.398713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.398713 (E_RNA)
where:
Base-Base interactions energy: -35.855
where: short stacking energy: -35.705
Base-Backbone interact. energy: -0.046
local terms energy: -63.498209
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -8.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -116.696551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.696551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.696551 (E_RNA)
where:
Base-Base interactions energy: -68.491
where: short stacking energy: -38.368
Base-Backbone interact. energy: -0.503
local terms energy: -47.702867
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -79.594317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.594317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.594317 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -24.299
Base-Backbone interact. energy: -1.363
local terms energy: -50.671536
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -1.409
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: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -84.579199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.579199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.579199 (E_RNA)
where:
Base-Base interactions energy: -31.619
where: short stacking energy: -27.557
Base-Backbone interact. energy: -0.129
local terms energy: -52.831091
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -226.200525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.200525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.200525 (E_RNA)
where:
Base-Base interactions energy: -144.172
where: short stacking energy: -67.543
Base-Backbone interact. energy: -1.377
local terms energy: -80.651410
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -21.767
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: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -194.988338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.988338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.988338 (E_RNA)
where:
Base-Base interactions energy: -114.532
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.003
local terms energy: -80.453349
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -201.726386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.726386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.726386 (E_RNA)
where:
Base-Base interactions energy: -133.375
where: short stacking energy: -59.276
Base-Backbone interact. energy: 0.321
local terms energy: -68.672365
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -145.805478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.805478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.805478 (E_RNA)
where:
Base-Base interactions energy: -91.227
where: short stacking energy: -50.392
Base-Backbone interact. energy: -0.029
local terms energy: -54.549406
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -148.160600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.160600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.160600 (E_RNA)
where:
Base-Base interactions energy: -93.341
where: short stacking energy: -43.091
Base-Backbone interact. energy: -0.167
local terms energy: -54.652670
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -10.099
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -7.165
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: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -162.401544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.401544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.401544 (E_RNA)
where:
Base-Base interactions energy: -98.637
where: short stacking energy: -50.261
Base-Backbone interact. energy: -0.005
local terms energy: -63.759937
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -6.652
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: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -106.267570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.267570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.267570 (E_RNA)
where:
Base-Base interactions energy: -53.130
where: short stacking energy: -41.276
Base-Backbone interact. energy: -0.134
local terms energy: -53.003475
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -80.537848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.537848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.537848 (E_RNA)
where:
Base-Base interactions energy: -32.154
where: short stacking energy: -26.350
Base-Backbone interact. energy: -0.064
local terms energy: -48.320124
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -83.821422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.821422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.821422 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.104
local terms energy: -55.806177
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -75.999262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.999262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.999262 (E_RNA)
where:
Base-Base interactions energy: -34.636
where: short stacking energy: -18.531
Base-Backbone interact. energy: -0.310
local terms energy: -41.054162
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: 4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -225.871720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.871720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.871720 (E_RNA)
where:
Base-Base interactions energy: -151.283
where: short stacking energy: -64.853
Base-Backbone interact. energy: -0.165
local terms energy: -74.423181
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -19.617
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: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -201.678757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.678757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.678757 (E_RNA)
where:
Base-Base interactions energy: -126.182
where: short stacking energy: -66.116
Base-Backbone interact. energy: -0.632
local terms energy: -74.864554
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -200.832898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.832898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.832898 (E_RNA)
where:
Base-Base interactions energy: -129.599
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.003
local terms energy: -71.231656
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -17.602
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: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -163.058808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.058808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.058808 (E_RNA)
where:
Base-Base interactions energy: -96.972
where: short stacking energy: -58.868
Base-Backbone interact. energy: -0.569
local terms energy: -65.517963
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -156.269018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.269018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.269018 (E_RNA)
where:
Base-Base interactions energy: -93.590
where: short stacking energy: -50.073
Base-Backbone interact. energy: -0.220
local terms energy: -62.458748
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -160.202349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.202349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.202349 (E_RNA)
where:
Base-Base interactions energy: -98.603
where: short stacking energy: -43.418
Base-Backbone interact. energy: -1.450
local terms energy: -60.149356
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -9.416
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: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -102.378069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.378069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.378069 (E_RNA)
where:
Base-Base interactions energy: -50.376
where: short stacking energy: -43.629
Base-Backbone interact. energy: -0.104
local terms energy: -51.897837
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -8.197
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -86.446734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.446734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.446734 (E_RNA)
where:
Base-Base interactions energy: -27.914
where: short stacking energy: -26.226
Base-Backbone interact. energy: -0.084
local terms energy: -58.449401
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -90.226472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.226472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.226472 (E_RNA)
where:
Base-Base interactions energy: -39.485
where: short stacking energy: -37.885
Base-Backbone interact. energy: -0.798
local terms energy: -49.943641
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -5.241
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: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -73.590576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.590576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.590576 (E_RNA)
where:
Base-Base interactions energy: -26.782
where: short stacking energy: -22.604
Base-Backbone interact. energy: -0.460
local terms energy: -46.348585
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: 2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -227.202783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.202783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.202783 (E_RNA)
where:
Base-Base interactions energy: -143.476
where: short stacking energy: -72.439
Base-Backbone interact. energy: -0.013
local terms energy: -83.712879
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -23.316
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: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -200.224958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.224958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.224958 (E_RNA)
where:
Base-Base interactions energy: -130.375
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.119
local terms energy: -69.731065
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -186.598344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.598344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.598344 (E_RNA)
where:
Base-Base interactions energy: -114.992
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.157
local terms energy: -71.448536
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -168.496795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.496795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.496795 (E_RNA)
where:
Base-Base interactions energy: -104.967
where: short stacking energy: -58.050
Base-Backbone interact. energy: 0.043
local terms energy: -63.572942
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -14.773
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: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -174.016729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.016729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.016729 (E_RNA)
where:
Base-Base interactions energy: -112.598
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.017
local terms energy: -61.401333
where:
bonds (distance) C4'-P energy: -7.527
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.667
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: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -140.631079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.631079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.631079 (E_RNA)
where:
Base-Base interactions energy: -85.894
where: short stacking energy: -48.788
Base-Backbone interact. energy: -0.197
local terms energy: -54.540075
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -104.711367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.711367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.711367 (E_RNA)
where:
Base-Base interactions energy: -45.676
where: short stacking energy: -45.003
Base-Backbone interact. energy: -0.180
local terms energy: -58.855146
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -85.142894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.142894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.142894 (E_RNA)
where:
Base-Base interactions energy: -42.753
where: short stacking energy: -34.137
Base-Backbone interact. energy: -0.105
local terms energy: -42.285037
where:
bonds (distance) C4'-P energy: -7.636
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -88.261404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.261404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.261404 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -37.891
Base-Backbone interact. energy: -0.024
local terms energy: -50.346039
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -79.466347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.466347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.466347 (E_RNA)
where:
Base-Base interactions energy: -28.421
where: short stacking energy: -28.421
Base-Backbone interact. energy: -0.155
local terms energy: -50.890350
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -2.075
tors. eta vs tors. theta energy: -4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -225.948860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.948860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.948860 (E_RNA)
where:
Base-Base interactions energy: -156.293
where: short stacking energy: -79.215
Base-Backbone interact. energy: -0.667
local terms energy: -68.989016
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -10.194
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: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -209.899549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.899549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.899549 (E_RNA)
where:
Base-Base interactions energy: -131.752
where: short stacking energy: -63.450
Base-Backbone interact. energy: -0.017
local terms energy: -78.131184
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -175.809162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.809162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.809162 (E_RNA)
where:
Base-Base interactions energy: -101.866
where: short stacking energy: -60.804
Base-Backbone interact. energy: -0.378
local terms energy: -73.565092
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -13.151
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: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -179.845737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.845737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.845737 (E_RNA)
where:
Base-Base interactions energy: -110.771
where: short stacking energy: -54.033
Base-Backbone interact. energy: -0.074
local terms energy: -69.001243
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -11.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -182.207919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.207919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.207919 (E_RNA)
where:
Base-Base interactions energy: -111.250
where: short stacking energy: -71.577
Base-Backbone interact. energy: -0.274
local terms energy: -70.683954
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -149.535290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.535290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.535290 (E_RNA)
where:
Base-Base interactions energy: -91.404
where: short stacking energy: -36.922
Base-Backbone interact. energy: -0.206
local terms energy: -57.925702
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -97.657121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.657121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.657121 (E_RNA)
where:
Base-Base interactions energy: -48.630
where: short stacking energy: -20.226
Base-Backbone interact. energy: -0.275
local terms energy: -48.752388
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -7.158
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -86.647509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.647509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.647509 (E_RNA)
where:
Base-Base interactions energy: -49.603
where: short stacking energy: -30.425
Base-Backbone interact. energy: -0.091
local terms energy: -36.953369
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -9.677
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -80.837294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.837294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.837294 (E_RNA)
where:
Base-Base interactions energy: -24.662
where: short stacking energy: -18.733
Base-Backbone interact. energy: -0.601
local terms energy: -55.573861
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -75.291681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.291681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.291681 (E_RNA)
where:
Base-Base interactions energy: -19.890
where: short stacking energy: -19.890
Base-Backbone interact. energy: -0.432
local terms energy: -54.970111
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: 0.480
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: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -222.705233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.705233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.705233 (E_RNA)
where:
Base-Base interactions energy: -145.658
where: short stacking energy: -73.453
Base-Backbone interact. energy: -0.265
local terms energy: -76.782375
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -209.149487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.149487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.149487 (E_RNA)
where:
Base-Base interactions energy: -139.001
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.025
local terms energy: -70.122966
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -185.115145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.115145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.115145 (E_RNA)
where:
Base-Base interactions energy: -116.128
where: short stacking energy: -60.378
Base-Backbone interact. energy: -1.050
local terms energy: -67.937203
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -13.164
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: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -170.404139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.404139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.404139 (E_RNA)
where:
Base-Base interactions energy: -103.712
where: short stacking energy: -49.304
Base-Backbone interact. energy: -0.182
local terms energy: -66.509996
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -177.453107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.453107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.453107 (E_RNA)
where:
Base-Base interactions energy: -105.399
where: short stacking energy: -53.810
Base-Backbone interact. energy: -0.081
local terms energy: -71.973211
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -18.269
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: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -108.519322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.519322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.519322 (E_RNA)
where:
Base-Base interactions energy: -55.213
where: short stacking energy: -45.871
Base-Backbone interact. energy: -0.032
local terms energy: -53.274595
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -1.177
tors. eta vs tors. theta energy: -6.615
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: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -146.230718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.230718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.230718 (E_RNA)
where:
Base-Base interactions energy: -89.762
where: short stacking energy: -41.740
Base-Backbone interact. energy: -0.165
local terms energy: -56.303935
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -95.945313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.945313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.945313 (E_RNA)
where:
Base-Base interactions energy: -35.923
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.067
local terms energy: -59.955197
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -14.394
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: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -89.764959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.764959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.764959 (E_RNA)
where:
Base-Base interactions energy: -45.513
where: short stacking energy: -30.940
Base-Backbone interact. energy: -0.232
local terms energy: -44.019367
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -11.555
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: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -74.130741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.130741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.130741 (E_RNA)
where:
Base-Base interactions energy: -25.577
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.344
local terms energy: -48.209917
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -9.397
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: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -219.487750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.487750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.487750 (E_RNA)
where:
Base-Base interactions energy: -145.527
where: short stacking energy: -72.806
Base-Backbone interact. energy: -0.185
local terms energy: -73.776088
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -19.689
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: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -208.658986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.658986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.658986 (E_RNA)
where:
Base-Base interactions energy: -132.524
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.075
local terms energy: -76.060057
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -201.091549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.091549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.091549 (E_RNA)
where:
Base-Base interactions energy: -130.171
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.301
local terms energy: -70.619686
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -181.774035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.774035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.774035 (E_RNA)
where:
Base-Base interactions energy: -114.144
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.099
local terms energy: -67.531268
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -177.888725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.888725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.888725 (E_RNA)
where:
Base-Base interactions energy: -103.765
where: short stacking energy: -56.594
Base-Backbone interact. energy: -1.168
local terms energy: -72.956080
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -90.444533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.444533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.444533 (E_RNA)
where:
Base-Base interactions energy: -37.618
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.342
local terms energy: -52.484738
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -3.667
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -140.202252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.202252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.202252 (E_RNA)
where:
Base-Base interactions energy: -87.637
where: short stacking energy: -34.055
Base-Backbone interact. energy: 0.893
local terms energy: -53.458525
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -92.183310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.183310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.183310 (E_RNA)
where:
Base-Base interactions energy: -43.072
where: short stacking energy: -33.757
Base-Backbone interact. energy: -0.060
local terms energy: -49.051310
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -10.286
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -3.951
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: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -78.524786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.524786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.524786 (E_RNA)
where:
Base-Base interactions energy: -35.086
where: short stacking energy: -29.510
Base-Backbone interact. energy: 0.310
local terms energy: -43.749054
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -9.599
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -2.088
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: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -85.384387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.384387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.384387 (E_RNA)
where:
Base-Base interactions energy: -36.310
where: short stacking energy: -29.069
Base-Backbone interact. energy: -0.111
local terms energy: -48.963786
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: 3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -217.118813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.118813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.118813 (E_RNA)
where:
Base-Base interactions energy: -153.080
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.116
local terms energy: -63.923270
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -9.857
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -209.225136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.225136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.225136 (E_RNA)
where:
Base-Base interactions energy: -135.912
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.134
local terms energy: -73.179319
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -13.019
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: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -200.037084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.037084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.037084 (E_RNA)
where:
Base-Base interactions energy: -128.839
where: short stacking energy: -60.679
Base-Backbone interact. energy: -1.189
local terms energy: -70.008922
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -181.743053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.743053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.743053 (E_RNA)
where:
Base-Base interactions energy: -111.067
where: short stacking energy: -60.301
Base-Backbone interact. energy: -0.051
local terms energy: -70.625254
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -168.129131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.129131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.129131 (E_RNA)
where:
Base-Base interactions energy: -101.257
where: short stacking energy: -64.641
Base-Backbone interact. energy: -0.001
local terms energy: -66.870638
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -6.192
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -20.180
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: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -137.623074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.623074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.623074 (E_RNA)
where:
Base-Base interactions energy: -81.265
where: short stacking energy: -41.078
Base-Backbone interact. energy: -0.118
local terms energy: -56.239699
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -7.230
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: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -97.734858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.734858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.734858 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.012
local terms energy: -59.421616
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -91.593642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.593642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.593642 (E_RNA)
where:
Base-Base interactions energy: -34.560
where: short stacking energy: -28.398
Base-Backbone interact. energy: -0.147
local terms energy: -56.886491
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -84.031898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.031898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.031898 (E_RNA)
where:
Base-Base interactions energy: -36.289
where: short stacking energy: -19.572
Base-Backbone interact. energy: -0.398
local terms energy: -47.344155
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -1.373
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -73.748684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.748684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.748684 (E_RNA)
where:
Base-Base interactions energy: -25.419
where: short stacking energy: -20.872
Base-Backbone interact. energy: -0.352
local terms energy: -47.977968
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -218.326188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.326188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.326188 (E_RNA)
where:
Base-Base interactions energy: -143.446
where: short stacking energy: -57.594
Base-Backbone interact. energy: -0.063
local terms energy: -74.817020
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -209.317273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.317273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.317273 (E_RNA)
where:
Base-Base interactions energy: -141.894
where: short stacking energy: -67.083
Base-Backbone interact. energy: -0.127
local terms energy: -67.296102
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -12.508
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: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -190.567051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.567051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.567051 (E_RNA)
where:
Base-Base interactions energy: -118.539
where: short stacking energy: -66.878
Base-Backbone interact. energy: -0.002
local terms energy: -72.026089
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -199.521606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.521606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.521606 (E_RNA)
where:
Base-Base interactions energy: -131.404
where: short stacking energy: -60.595
Base-Backbone interact. energy: -0.827
local terms energy: -67.289912
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -144.681795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.681795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.681795 (E_RNA)
where:
Base-Base interactions energy: -81.371
where: short stacking energy: -42.333
Base-Backbone interact. energy: -0.240
local terms energy: -63.070187
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -156.835381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.835381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.835381 (E_RNA)
where:
Base-Base interactions energy: -92.463
where: short stacking energy: -47.608
Base-Backbone interact. energy: -0.137
local terms energy: -64.234668
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -87.310974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.310974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.310974 (E_RNA)
where:
Base-Base interactions energy: -29.929
where: short stacking energy: -27.082
Base-Backbone interact. energy: -0.037
local terms energy: -57.345380
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -88.619876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.619876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.619876 (E_RNA)
where:
Base-Base interactions energy: -36.277
where: short stacking energy: -27.718
Base-Backbone interact. energy: 1.087
local terms energy: -53.430035
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -8.152
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: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -89.698506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698506 (E_RNA)
where:
Base-Base interactions energy: -37.454
where: short stacking energy: -35.185
Base-Backbone interact. energy: -0.126
local terms energy: -52.117866
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -7.212
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: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -77.516492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.516492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.516492 (E_RNA)
where:
Base-Base interactions energy: -29.228
where: short stacking energy: -24.007
Base-Backbone interact. energy: -0.597
local terms energy: -47.691272
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -221.544491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.544491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.544491 (E_RNA)
where:
Base-Base interactions energy: -141.393
where: short stacking energy: -58.792
Base-Backbone interact. energy: -0.488
local terms energy: -79.664396
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -210.626465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.626465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.626465 (E_RNA)
where:
Base-Base interactions energy: -140.232
where: short stacking energy: -71.037
Base-Backbone interact. energy: 0.119
local terms energy: -70.513768
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -190.410537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.410537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.410537 (E_RNA)
where:
Base-Base interactions energy: -114.255
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.280
local terms energy: -75.875543
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -191.078310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.078310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.078310 (E_RNA)
where:
Base-Base interactions energy: -132.174
where: short stacking energy: -51.212
Base-Backbone interact. energy: -0.362
local terms energy: -58.542027
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -12.282
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: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -172.819841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.819841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.819841 (E_RNA)
where:
Base-Base interactions energy: -113.775
where: short stacking energy: -54.173
Base-Backbone interact. energy: -0.085
local terms energy: -58.959861
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -160.713833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.713833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.713833 (E_RNA)
where:
Base-Base interactions energy: -100.452
where: short stacking energy: -49.876
Base-Backbone interact. energy: -0.024
local terms energy: -60.238242
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -91.981532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.981532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.981532 (E_RNA)
where:
Base-Base interactions energy: -39.812
where: short stacking energy: -26.306
Base-Backbone interact. energy: -0.489
local terms energy: -51.680318
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: 0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -88.431835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.431835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.431835 (E_RNA)
where:
Base-Base interactions energy: -35.894
where: short stacking energy: -33.060
Base-Backbone interact. energy: -0.013
local terms energy: -52.524965
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -10.255
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: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -81.231910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.231910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.231910 (E_RNA)
where:
Base-Base interactions energy: -29.752
where: short stacking energy: -24.473
Base-Backbone interact. energy: -0.226
local terms energy: -51.253899
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -108.622732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.622732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.622732 (E_RNA)
where:
Base-Base interactions energy: -68.314
where: short stacking energy: -33.455
Base-Backbone interact. energy: -0.096
local terms energy: -40.212809
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -1.707
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -217.230338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.230338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.230338 (E_RNA)
where:
Base-Base interactions energy: -143.406
where: short stacking energy: -73.829
Base-Backbone interact. energy: 0.172
local terms energy: -73.996464
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -220.001860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.001860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.001860 (E_RNA)
where:
Base-Base interactions energy: -144.958
where: short stacking energy: -60.514
Base-Backbone interact. energy: -0.909
local terms energy: -74.135126
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -11.512
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: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -192.086113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.086113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.086113 (E_RNA)
where:
Base-Base interactions energy: -117.448
where: short stacking energy: -64.607
Base-Backbone interact. energy: -0.027
local terms energy: -74.610929
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -176.269314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.269314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.269314 (E_RNA)
where:
Base-Base interactions energy: -104.950
where: short stacking energy: -58.142
Base-Backbone interact. energy: -0.325
local terms energy: -70.994369
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.516
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: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -151.370340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.370340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.370340 (E_RNA)
where:
Base-Base interactions energy: -97.451
where: short stacking energy: -47.482
Base-Backbone interact. energy: -0.121
local terms energy: -53.798387
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -134.034361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.034361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.034361 (E_RNA)
where:
Base-Base interactions energy: -83.697
where: short stacking energy: -39.653
Base-Backbone interact. energy: -0.001
local terms energy: -50.336471
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -90.315305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.315305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.315305 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.353
local terms energy: -58.405459
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -10.785
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: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -91.768624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.768624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.768624 (E_RNA)
where:
Base-Base interactions energy: -36.466
where: short stacking energy: -35.256
Base-Backbone interact. energy: -0.818
local terms energy: -54.484544
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -2.913
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: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -78.812658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.812658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.812658 (E_RNA)
where:
Base-Base interactions energy: -27.908
where: short stacking energy: -27.868
Base-Backbone interact. energy: -0.887
local terms energy: -50.018025
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -80.915939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.915939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.915939 (E_RNA)
where:
Base-Base interactions energy: -29.885
where: short stacking energy: -28.193
Base-Backbone interact. energy: 0.852
local terms energy: -51.883272
where:
bonds (distance) C4'-P energy: -3.306
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -8.411
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: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -206.489539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.489539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.489539 (E_RNA)
where:
Base-Base interactions energy: -128.529
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.625
local terms energy: -77.335577
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -213.343636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.343636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.343636 (E_RNA)
where:
Base-Base interactions energy: -142.635
where: short stacking energy: -62.380
Base-Backbone interact. energy: -0.070
local terms energy: -70.638469
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -181.934962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.934962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.934962 (E_RNA)
where:
Base-Base interactions energy: -105.192
where: short stacking energy: -60.076
Base-Backbone interact. energy: -1.563
local terms energy: -75.179845
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -173.466835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.466835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.466835 (E_RNA)
where:
Base-Base interactions energy: -98.973
where: short stacking energy: -54.344
Base-Backbone interact. energy: -0.829
local terms energy: -73.664323
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -13.669
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: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -182.935921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.935921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.935921 (E_RNA)
where:
Base-Base interactions energy: -111.451
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.117
local terms energy: -71.367244
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -91.909775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.909775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.909775 (E_RNA)
where:
Base-Base interactions energy: -36.102
where: short stacking energy: -33.814
Base-Backbone interact. energy: 0.587
local terms energy: -56.394402
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -96.500114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.500114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.500114 (E_RNA)
where:
Base-Base interactions energy: -48.873
where: short stacking energy: -42.144
Base-Backbone interact. energy: -0.565
local terms energy: -47.062368
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -5.303
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -76.812226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.812226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.812226 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -26.269
Base-Backbone interact. energy: -0.101
local terms energy: -47.410643
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -10.416
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: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -85.363389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.363389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.363389 (E_RNA)
where:
Base-Base interactions energy: -39.950
where: short stacking energy: -36.668
Base-Backbone interact. energy: 1.744
local terms energy: -47.157156
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -88.220667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.220667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.220667 (E_RNA)
where:
Base-Base interactions energy: -27.795
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.080
local terms energy: -60.345376
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -9.795
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: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -224.040631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.040631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.040631 (E_RNA)
where:
Base-Base interactions energy: -142.748
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.009
local terms energy: -81.283515
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -204.141631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.141631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.141631 (E_RNA)
where:
Base-Base interactions energy: -137.723
where: short stacking energy: -57.833
Base-Backbone interact. energy: -0.001
local terms energy: -66.417596
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -169.377870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.377870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.377870 (E_RNA)
where:
Base-Base interactions energy: -101.595
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.037
local terms energy: -67.745672
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -178.279974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.279974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.279974 (E_RNA)
where:
Base-Base interactions energy: -113.832
where: short stacking energy: -54.792
Base-Backbone interact. energy: -0.357
local terms energy: -64.090480
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -174.471734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.471734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.471734 (E_RNA)
where:
Base-Base interactions energy: -99.965
where: short stacking energy: -47.800
Base-Backbone interact. energy: -1.477
local terms energy: -73.030200
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -125.637473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.637473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.637473 (E_RNA)
where:
Base-Base interactions energy: -61.217
where: short stacking energy: -47.606
Base-Backbone interact. energy: -0.001
local terms energy: -64.419428
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -90.546343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.546343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.546343 (E_RNA)
where:
Base-Base interactions energy: -36.080
where: short stacking energy: -21.545
Base-Backbone interact. energy: -0.103
local terms energy: -54.362518
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -97.496569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.496569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.496569 (E_RNA)
where:
Base-Base interactions energy: -32.755
where: short stacking energy: -30.946
Base-Backbone interact. energy: -0.937
local terms energy: -63.804638
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -77.643779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.643779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.643779 (E_RNA)
where:
Base-Base interactions energy: -30.497
where: short stacking energy: -30.497
Base-Backbone interact. energy: -0.133
local terms energy: -47.013734
where:
bonds (distance) C4'-P energy: -7.677
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -81.647474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.647474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.647474 (E_RNA)
where:
Base-Base interactions energy: -35.931
where: short stacking energy: -27.514
Base-Backbone interact. energy: -0.049
local terms energy: -45.667392
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -220.618655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.618655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.618655 (E_RNA)
where:
Base-Base interactions energy: -144.052
where: short stacking energy: -58.932
Base-Backbone interact. energy: -1.146
local terms energy: -75.420758
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -205.639648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.639648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.639648 (E_RNA)
where:
Base-Base interactions energy: -125.636
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.093
local terms energy: -79.911234
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -22.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -215.310854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.310854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.310854 (E_RNA)
where:
Base-Base interactions energy: -140.407
where: short stacking energy: -74.018
Base-Backbone interact. energy: -0.004
local terms energy: -74.900136
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -183.582926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.582926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.582926 (E_RNA)
where:
Base-Base interactions energy: -122.978
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.034
local terms energy: -60.571422
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: 0.403
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -174.777033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.777033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.777033 (E_RNA)
where:
Base-Base interactions energy: -101.106
where: short stacking energy: -54.660
Base-Backbone interact. energy: -0.603
local terms energy: -73.067640
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -94.564214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.564214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.564214 (E_RNA)
where:
Base-Base interactions energy: -34.393
where: short stacking energy: -34.393
Base-Backbone interact. energy: -0.140
local terms energy: -60.030507
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.215
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: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -94.417646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.417646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.417646 (E_RNA)
where:
Base-Base interactions energy: -43.629
where: short stacking energy: -32.172
Base-Backbone interact. energy: -0.164
local terms energy: -50.625283
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -94.438654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.438654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.438654 (E_RNA)
where:
Base-Base interactions energy: -47.388
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.102
local terms energy: -46.949095
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -3.457
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: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -93.410642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.410642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.410642 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -31.593
Base-Backbone interact. energy: 0.937
local terms energy: -59.146165
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -73.135671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.135671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.135671 (E_RNA)
where:
Base-Base interactions energy: -25.728
where: short stacking energy: -21.119
Base-Backbone interact. energy: 1.510
local terms energy: -48.917390
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -221.715075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.715075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.715075 (E_RNA)
where:
Base-Base interactions energy: -139.096
where: short stacking energy: -72.223
Base-Backbone interact. energy: -0.182
local terms energy: -82.437302
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -196.693086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.693086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.693086 (E_RNA)
where:
Base-Base interactions energy: -126.816
where: short stacking energy: -69.549
Base-Backbone interact. energy: -0.010
local terms energy: -69.867563
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -206.738821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.738821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.738821 (E_RNA)
where:
Base-Base interactions energy: -136.643
where: short stacking energy: -48.595
Base-Backbone interact. energy: -0.345
local terms energy: -69.750970
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -174.813489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.813489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.813489 (E_RNA)
where:
Base-Base interactions energy: -103.000
where: short stacking energy: -50.514
Base-Backbone interact. energy: -0.485
local terms energy: -71.327886
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -118.055891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.055891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.055891 (E_RNA)
where:
Base-Base interactions energy: -60.903
where: short stacking energy: -43.722
Base-Backbone interact. energy: -0.028
local terms energy: -57.125216
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -5.193
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: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -178.676316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.676316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.676316 (E_RNA)
where:
Base-Base interactions energy: -107.472
where: short stacking energy: -60.053
Base-Backbone interact. energy: 0.406
local terms energy: -71.610668
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -110.274015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.274015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.274015 (E_RNA)
where:
Base-Base interactions energy: -49.535
where: short stacking energy: -36.043
Base-Backbone interact. energy: -0.257
local terms energy: -60.482005
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -84.242227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.242227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.242227 (E_RNA)
where:
Base-Base interactions energy: -40.724
where: short stacking energy: -25.987
Base-Backbone interact. energy: -0.111
local terms energy: -43.407650
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -6.910
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -89.306872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.306872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.306872 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -29.938
Base-Backbone interact. energy: -0.156
local terms energy: -56.933595
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -69.499726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.499726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.499726 (E_RNA)
where:
Base-Base interactions energy: -30.983
where: short stacking energy: -25.154
Base-Backbone interact. energy: -0.139
local terms energy: -38.377625
where:
bonds (distance) C4'-P energy: -6.931
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -4.664
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: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -218.784244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.784244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.784244 (E_RNA)
where:
Base-Base interactions energy: -140.983
where: short stacking energy: -67.968
Base-Backbone interact. energy: -0.385
local terms energy: -77.416572
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -220.347254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.347254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.347254 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -75.877
Base-Backbone interact. energy: -0.001
local terms energy: -76.544967
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -200.024429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.024429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.024429 (E_RNA)
where:
Base-Base interactions energy: -126.398
where: short stacking energy: -50.807
Base-Backbone interact. energy: -0.910
local terms energy: -72.716250
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -168.158170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.158170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.158170 (E_RNA)
where:
Base-Base interactions energy: -102.034
where: short stacking energy: -51.790
Base-Backbone interact. energy: -0.008
local terms energy: -66.116414
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -11.876
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: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -102.238901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.238901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.238901 (E_RNA)
where:
Base-Base interactions energy: -49.179
where: short stacking energy: -46.858
Base-Backbone interact. energy: 0.349
local terms energy: -53.408985
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -179.152494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.152494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.152494 (E_RNA)
where:
Base-Base interactions energy: -109.046
where: short stacking energy: -59.323
Base-Backbone interact. energy: -0.076
local terms energy: -70.030869
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.397
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: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -84.273301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.273301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.273301 (E_RNA)
where:
Base-Base interactions energy: -29.638
where: short stacking energy: -20.173
Base-Backbone interact. energy: -0.591
local terms energy: -54.044720
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: 1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -92.238854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.238854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.238854 (E_RNA)
where:
Base-Base interactions energy: -34.950
where: short stacking energy: -30.158
Base-Backbone interact. energy: -0.039
local terms energy: -57.250681
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -12.133
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: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -81.471255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.471255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.471255 (E_RNA)
where:
Base-Base interactions energy: -34.649
where: short stacking energy: -31.806
Base-Backbone interact. energy: -0.200
local terms energy: -46.622172
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -6.297
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: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -74.529760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.529760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.529760 (E_RNA)
where:
Base-Base interactions energy: -25.153
where: short stacking energy: -22.936
Base-Backbone interact. energy: -0.195
local terms energy: -49.182270
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -227.673316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.673316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.673316 (E_RNA)
where:
Base-Base interactions energy: -154.636
where: short stacking energy: -77.871
Base-Backbone interact. energy: -0.006
local terms energy: -73.030964
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -217.493458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.493458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.493458 (E_RNA)
where:
Base-Base interactions energy: -142.686
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.319
local terms energy: -74.488294
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -9.297
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: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -199.266543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.266543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.266543 (E_RNA)
where:
Base-Base interactions energy: -126.798
where: short stacking energy: -57.965
Base-Backbone interact. energy: -0.282
local terms energy: -72.186271
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -175.259603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.259603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.259603 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -56.662
Base-Backbone interact. energy: -0.647
local terms energy: -59.351397
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -157.760932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.760932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.760932 (E_RNA)
where:
Base-Base interactions energy: -90.215
where: short stacking energy: -48.127
Base-Backbone interact. energy: -2.135
local terms energy: -65.411652
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -99.701171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.701171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.701171 (E_RNA)
where:
Base-Base interactions energy: -41.314
where: short stacking energy: -41.314
Base-Backbone interact. energy: -0.101
local terms energy: -58.285978
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -7.902
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -94.879437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.879437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.879437 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -36.327
Base-Backbone interact. energy: -0.108
local terms energy: -57.380213
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -80.952012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.952012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.952012 (E_RNA)
where:
Base-Base interactions energy: -33.979
where: short stacking energy: -33.979
Base-Backbone interact. energy: -0.133
local terms energy: -46.840294
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -2.442
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: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -100.014750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.014750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.014750 (E_RNA)
where:
Base-Base interactions energy: -50.656
where: short stacking energy: -41.636
Base-Backbone interact. energy: -0.400
local terms energy: -48.958575
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -79.650407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.650407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.650407 (E_RNA)
where:
Base-Base interactions energy: -30.033
where: short stacking energy: -30.033
Base-Backbone interact. energy: -0.021
local terms energy: -49.596288
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -222.964028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.964028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.964028 (E_RNA)
where:
Base-Base interactions energy: -144.953
where: short stacking energy: -68.197
Base-Backbone interact. energy: -0.075
local terms energy: -77.935940
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -213.723221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.723221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.723221 (E_RNA)
where:
Base-Base interactions energy: -136.592
where: short stacking energy: -64.040
Base-Backbone interact. energy: -0.570
local terms energy: -76.561436
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -16.512
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: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -190.679221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.679221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.679221 (E_RNA)
where:
Base-Base interactions energy: -113.291
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.216
local terms energy: -77.171840
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -173.188760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.188760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.188760 (E_RNA)
where:
Base-Base interactions energy: -115.023
where: short stacking energy: -50.838
Base-Backbone interact. energy: -0.620
local terms energy: -57.545221
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -8.535
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -12.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -159.103432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.103432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.103432 (E_RNA)
where:
Base-Base interactions energy: -94.492
where: short stacking energy: -48.596
Base-Backbone interact. energy: -0.091
local terms energy: -64.520662
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -102.348668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.348668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.348668 (E_RNA)
where:
Base-Base interactions energy: -51.264
where: short stacking energy: -43.977
Base-Backbone interact. energy: 1.685
local terms energy: -52.769661
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -12.245
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: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -95.131810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.131810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.131810 (E_RNA)
where:
Base-Base interactions energy: -50.019
where: short stacking energy: -28.924
Base-Backbone interact. energy: -0.282
local terms energy: -44.830753
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -5.890
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: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -92.384005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.384005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.384005 (E_RNA)
where:
Base-Base interactions energy: -37.809
where: short stacking energy: -36.622
Base-Backbone interact. energy: -0.089
local terms energy: -54.485513
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -79.041374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.041374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.041374 (E_RNA)
where:
Base-Base interactions energy: -30.703
where: short stacking energy: -28.391
Base-Backbone interact. energy: -0.386
local terms energy: -47.952627
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: 2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -75.687243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.687243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.687243 (E_RNA)
where:
Base-Base interactions energy: -27.938
where: short stacking energy: -26.903
Base-Backbone interact. energy: -0.116
local terms energy: -47.632651
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -223.290486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.290486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.290486 (E_RNA)
where:
Base-Base interactions energy: -146.626
where: short stacking energy: -63.419
Base-Backbone interact. energy: -1.507
local terms energy: -75.156790
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -18.664
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: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -222.477090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.477090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.477090 (E_RNA)
where:
Base-Base interactions energy: -144.350
where: short stacking energy: -62.590
Base-Backbone interact. energy: -1.372
local terms energy: -76.754742
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -191.753532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.753532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.753532 (E_RNA)
where:
Base-Base interactions energy: -118.716
where: short stacking energy: -47.042
Base-Backbone interact. energy: -0.217
local terms energy: -72.820463
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -164.333721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.333721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.333721 (E_RNA)
where:
Base-Base interactions energy: -107.487
where: short stacking energy: -60.600
Base-Backbone interact. energy: -0.124
local terms energy: -56.722162
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -111.781912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.781912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.781912 (E_RNA)
where:
Base-Base interactions energy: -42.918
where: short stacking energy: -42.918
Base-Backbone interact. energy: -0.061
local terms energy: -68.803170
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -157.128623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.128623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.128623 (E_RNA)
where:
Base-Base interactions energy: -102.874
where: short stacking energy: -45.415
Base-Backbone interact. energy: -0.570
local terms energy: -53.684343
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -111.712159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.712159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.712159 (E_RNA)
where:
Base-Base interactions energy: -56.661
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.491
local terms energy: -54.560264
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -6.514
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: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -93.289411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.289411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.289411 (E_RNA)
where:
Base-Base interactions energy: -33.629
where: short stacking energy: -26.704
Base-Backbone interact. energy: -0.038
local terms energy: -59.623044
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -84.105437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.105437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.105437 (E_RNA)
where:
Base-Base interactions energy: -34.389
where: short stacking energy: -31.473
Base-Backbone interact. energy: -0.077
local terms energy: -49.639137
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -67.917581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.917581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.917581 (E_RNA)
where:
Base-Base interactions energy: -30.476
where: short stacking energy: -29.750
Base-Backbone interact. energy: -0.198
local terms energy: -37.243599
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: 4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -218.094345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.094345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.094345 (E_RNA)
where:
Base-Base interactions energy: -143.536
where: short stacking energy: -68.890
Base-Backbone interact. energy: -0.221
local terms energy: -74.337749
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -8.888
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: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -219.104240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.104240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.104240 (E_RNA)
where:
Base-Base interactions energy: -144.938
where: short stacking energy: -71.814
Base-Backbone interact. energy: -0.009
local terms energy: -74.157192
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -11.955
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: 97
Temperature: 1.000000
Total energy: -190.072756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.072756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.072756 (E_RNA)
where:
Base-Base interactions energy: -125.580
where: short stacking energy: -55.114
Base-Backbone interact. energy: -1.378
local terms energy: -63.115143
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -117.575214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.575214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.575214 (E_RNA)
where:
Base-Base interactions energy: -58.702
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.067
local terms energy: -58.806583
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -163.381329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.381329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.381329 (E_RNA)
where:
Base-Base interactions energy: -95.686
where: short stacking energy: -43.706
Base-Backbone interact. energy: -0.592
local terms energy: -67.102732
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -173.371642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.371642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.371642 (E_RNA)
where:
Base-Base interactions energy: -108.542
where: short stacking energy: -49.790
Base-Backbone interact. energy: -0.117
local terms energy: -64.712637
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -8.562
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: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -94.947609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.947609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.947609 (E_RNA)
where:
Base-Base interactions energy: -38.483
where: short stacking energy: -20.159
Base-Backbone interact. energy: -1.407
local terms energy: -55.057890
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -90.231041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.231041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.231041 (E_RNA)
where:
Base-Base interactions energy: -36.084
where: short stacking energy: -36.084
Base-Backbone interact. energy: -0.269
local terms energy: -53.878601
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -104.496840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.496840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.496840 (E_RNA)
where:
Base-Base interactions energy: -50.655
where: short stacking energy: -31.788
Base-Backbone interact. energy: 0.312
local terms energy: -54.154645
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -82.494390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.494390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.494390 (E_RNA)
where:
Base-Base interactions energy: -27.845
where: short stacking energy: -27.091
Base-Backbone interact. energy: -0.095
local terms energy: -54.554541
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -5.628
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: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -225.275736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.275736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.275736 (E_RNA)
where:
Base-Base interactions energy: -150.132
where: short stacking energy: -69.827
Base-Backbone interact. energy: -0.002
local terms energy: -75.142404
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -219.994441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.994441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.994441 (E_RNA)
where:
Base-Base interactions energy: -142.221
where: short stacking energy: -71.565
Base-Backbone interact. energy: -0.127
local terms energy: -77.645773
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -206.172890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.172890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.172890 (E_RNA)
where:
Base-Base interactions energy: -137.553
where: short stacking energy: -57.783
Base-Backbone interact. energy: -0.221
local terms energy: -68.398378
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -125.840525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.840525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.840525 (E_RNA)
where:
Base-Base interactions energy: -58.768
where: short stacking energy: -47.103
Base-Backbone interact. energy: -0.679
local terms energy: -66.393938
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -151.493352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.493352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.493352 (E_RNA)
where:
Base-Base interactions energy: -88.955
where: short stacking energy: -42.097
Base-Backbone interact. energy: -0.172
local terms energy: -62.365517
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -153.272607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.272607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.272607 (E_RNA)
where:
Base-Base interactions energy: -90.284
where: short stacking energy: -45.787
Base-Backbone interact. energy: 0.146
local terms energy: -63.135383
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -94.015054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.015054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.015054 (E_RNA)
where:
Base-Base interactions energy: -40.135
where: short stacking energy: -38.211
Base-Backbone interact. energy: -0.743
local terms energy: -53.137073
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -3.960
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: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -90.132683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.132683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.132683 (E_RNA)
where:
Base-Base interactions energy: -34.892
where: short stacking energy: -24.082
Base-Backbone interact. energy: -1.086
local terms energy: -54.154541
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -74.812425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.812425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.812425 (E_RNA)
where:
Base-Base interactions energy: -21.081
where: short stacking energy: -21.243
Base-Backbone interact. energy: -0.112
local terms energy: -53.619435
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -1.853
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: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -86.543606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.543606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.543606 (E_RNA)
where:
Base-Base interactions energy: -24.787
where: short stacking energy: -26.057
Base-Backbone interact. energy: -0.011
local terms energy: -61.746160
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -8.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -228.488282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.488282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.488282 (E_RNA)
where:
Base-Base interactions energy: -150.008
where: short stacking energy: -76.508
Base-Backbone interact. energy: -0.325
local terms energy: -78.155509
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -195.444175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.444175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.444175 (E_RNA)
where:
Base-Base interactions energy: -127.863
where: short stacking energy: -70.658
Base-Backbone interact. energy: -0.142
local terms energy: -67.439594
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -215.141294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.141294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.141294 (E_RNA)
where:
Base-Base interactions energy: -139.530
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.006
local terms energy: -75.605848
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -19.670
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: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -167.059864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.059864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.059864 (E_RNA)
where:
Base-Base interactions energy: -110.346
where: short stacking energy: -56.996
Base-Backbone interact. energy: -0.679
local terms energy: -56.035340
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -10.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -100.642041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.642041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.642041 (E_RNA)
where:
Base-Base interactions energy: -49.807
where: short stacking energy: -41.861
Base-Backbone interact. energy: 0.582
local terms energy: -51.416788
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -6.323
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: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -163.227408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.227408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.227408 (E_RNA)
where:
Base-Base interactions energy: -95.144
where: short stacking energy: -48.350
Base-Backbone interact. energy: -0.140
local terms energy: -67.943676
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -13.011
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: 99
Temperature: 1.200000
Total energy: -106.127238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.127238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.127238 (E_RNA)
where:
Base-Base interactions energy: -55.410
where: short stacking energy: -26.460
Base-Backbone interact. energy: -0.546
local terms energy: -50.171640
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -0.905
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: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -98.022036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022036 (E_RNA)
where:
Base-Base interactions energy: -42.708
where: short stacking energy: -27.960
Base-Backbone interact. energy: -0.154
local terms energy: -55.160162
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -3.566
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: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -84.510065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.510065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.510065 (E_RNA)
where:
Base-Base interactions energy: -38.446
where: short stacking energy: -38.446
Base-Backbone interact. energy: -0.080
local terms energy: -45.983924
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -72.972972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.972972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.972972 (E_RNA)
where:
Base-Base interactions energy: -26.250
where: short stacking energy: -25.673
Base-Backbone interact. energy: -0.024
local terms energy: -46.699732
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -5.127
flat angles P-C4'-P energy: -9.343
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: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -198.868459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.868459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.868459 (E_RNA)
where:
Base-Base interactions energy: -128.381
where: short stacking energy: -70.656
Base-Backbone interact. energy: -0.089
local terms energy: -70.398197
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -219.588490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.588490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.588490 (E_RNA)
where:
Base-Base interactions energy: -138.888
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.019
local terms energy: -80.681592
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -20.952
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: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -213.075593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.075593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.075593 (E_RNA)
where:
Base-Base interactions energy: -136.825
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.005
local terms energy: -76.245776
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -11.059
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: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -167.042927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.042927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.042927 (E_RNA)
where:
Base-Base interactions energy: -106.226
where: short stacking energy: -45.355
Base-Backbone interact. energy: -0.005
local terms energy: -60.811967
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -187.840187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.840187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.840187 (E_RNA)
where:
Base-Base interactions energy: -111.470
where: short stacking energy: -56.066
Base-Backbone interact. energy: -0.518
local terms energy: -75.852886
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -111.339140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.339140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.339140 (E_RNA)
where:
Base-Base interactions energy: -53.125
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.054
local terms energy: -58.160780
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -8.848
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: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -90.178737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178737 (E_RNA)
where:
Base-Base interactions energy: -36.182
where: short stacking energy: -23.975
Base-Backbone interact. energy: 0.247
local terms energy: -54.244074
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -81.647628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.647628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.647628 (E_RNA)
where:
Base-Base interactions energy: -34.062
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.106
local terms energy: -47.479537
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -6.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -87.413757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.413757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.413757 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -23.893
Base-Backbone interact. energy: -0.228
local terms energy: -49.084619
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -2.226
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -70.738166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.738166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.738166 (E_RNA)
where:
Base-Base interactions energy: -25.851
where: short stacking energy: -25.851
Base-Backbone interact. energy: -0.040
local terms energy: -44.847721
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: 2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -188.513800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.513800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.513800 (E_RNA)
where:
Base-Base interactions energy: -115.107
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.034
local terms energy: -73.373274
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -220.171735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.171735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.171735 (E_RNA)
where:
Base-Base interactions energy: -142.162
where: short stacking energy: -69.729
Base-Backbone interact. energy: -0.282
local terms energy: -77.727704
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -21.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -218.726821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.726821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.726821 (E_RNA)
where:
Base-Base interactions energy: -141.261
where: short stacking energy: -72.520
Base-Backbone interact. energy: -0.047
local terms energy: -77.418538
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -20.833
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: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -184.005527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.005527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.005527 (E_RNA)
where:
Base-Base interactions energy: -113.055
where: short stacking energy: -61.527
Base-Backbone interact. energy: -0.002
local terms energy: -70.948932
where:
bonds (distance) C4'-P energy: -6.778
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -12.719
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: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -170.479823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.479823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.479823 (E_RNA)
where:
Base-Base interactions energy: -102.607
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.331
local terms energy: -67.542180
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -13.726
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: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -90.875271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.875271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.875271 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -31.786
Base-Backbone interact. energy: -0.135
local terms energy: -55.421180
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -91.623976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.623976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.623976 (E_RNA)
where:
Base-Base interactions energy: -42.662
where: short stacking energy: -19.495
Base-Backbone interact. energy: -0.189
local terms energy: -48.772664
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -5.693
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: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -97.596970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.596970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.596970 (E_RNA)
where:
Base-Base interactions energy: -52.874
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.576
local terms energy: -44.147664
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -2.365
tors. eta vs tors. theta energy: 1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -73.283016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.283016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.283016 (E_RNA)
where:
Base-Base interactions energy: -24.911
where: short stacking energy: -10.084
Base-Backbone interact. energy: 0.522
local terms energy: -48.894385
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -7.654
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: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -78.597565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.597565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.597565 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -32.065
Base-Backbone interact. energy: -0.049
local terms energy: -46.483635
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: 3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -224.477839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.477839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.477839 (E_RNA)
where:
Base-Base interactions energy: -150.940
where: short stacking energy: -63.707
Base-Backbone interact. energy: -0.012
local terms energy: -73.526427
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -201.827227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.827227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.827227 (E_RNA)
where:
Base-Base interactions energy: -125.057
where: short stacking energy: -69.804
Base-Backbone interact. energy: -0.000
local terms energy: -76.769531
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -223.371689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.371689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.371689 (E_RNA)
where:
Base-Base interactions energy: -146.830
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.707
local terms energy: -75.834415
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -22.012
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: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -171.950912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.950912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.950912 (E_RNA)
where:
Base-Base interactions energy: -109.104
where: short stacking energy: -58.653
Base-Backbone interact. energy: -0.097
local terms energy: -62.749475
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -9.625
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: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -172.349731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.349731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.349731 (E_RNA)
where:
Base-Base interactions energy: -102.657
where: short stacking energy: -51.395
Base-Backbone interact. energy: -0.434
local terms energy: -69.258873
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -13.721
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: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -99.519878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.519878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.519878 (E_RNA)
where:
Base-Base interactions energy: -41.988
where: short stacking energy: -41.988
Base-Backbone interact. energy: -0.117
local terms energy: -57.415725
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -6.558
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: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -143.494339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.494339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.494339 (E_RNA)
where:
Base-Base interactions energy: -83.137
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.916
local terms energy: -59.442085
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -6.944
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: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -92.850708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.850708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.850708 (E_RNA)
where:
Base-Base interactions energy: -37.829
where: short stacking energy: -35.687
Base-Backbone interact. energy: -0.142
local terms energy: -54.880117
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -86.217047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.217047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.217047 (E_RNA)
where:
Base-Base interactions energy: -37.762
where: short stacking energy: -37.762
Base-Backbone interact. energy: -0.030
local terms energy: -48.425493
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -71.520891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.520891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.520891 (E_RNA)
where:
Base-Base interactions energy: -19.874
where: short stacking energy: -18.626
Base-Backbone interact. energy: -0.477
local terms energy: -51.169124
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -226.224873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.224873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.224873 (E_RNA)
where:
Base-Base interactions energy: -149.108
where: short stacking energy: -71.162
Base-Backbone interact. energy: -0.169
local terms energy: -76.947438
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -21.200
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: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -214.037997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.037997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.037997 (E_RNA)
where:
Base-Base interactions energy: -138.907
where: short stacking energy: -61.837
Base-Backbone interact. energy: -0.344
local terms energy: -74.787109
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.358
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: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -181.859116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.859116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.859116 (E_RNA)
where:
Base-Base interactions energy: -112.773
where: short stacking energy: -50.954
Base-Backbone interact. energy: -0.010
local terms energy: -69.075948
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -175.781823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.781823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.781823 (E_RNA)
where:
Base-Base interactions energy: -115.719
where: short stacking energy: -61.224
Base-Backbone interact. energy: 1.027
local terms energy: -61.089743
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -171.266776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.266776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.266776 (E_RNA)
where:
Base-Base interactions energy: -115.839
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.355
local terms energy: -55.072994
where:
bonds (distance) C4'-P energy: -7.778
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -1.749
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -161.597897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.597897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.597897 (E_RNA)
where:
Base-Base interactions energy: -100.651
where: short stacking energy: -54.068
Base-Backbone interact. energy: -0.103
local terms energy: -60.844617
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -86.924154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.924154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.924154 (E_RNA)
where:
Base-Base interactions energy: -44.934
where: short stacking energy: -30.899
Base-Backbone interact. energy: -0.393
local terms energy: -41.596661
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -5.838
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: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -80.376541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.376541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.376541 (E_RNA)
where:
Base-Base interactions energy: -40.135
where: short stacking energy: -19.497
Base-Backbone interact. energy: 1.276
local terms energy: -41.518055
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -75.273897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.273897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.273897 (E_RNA)
where:
Base-Base interactions energy: -24.753
where: short stacking energy: -16.603
Base-Backbone interact. energy: -0.144
local terms energy: -50.376942
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: 4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -78.743641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.743641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.743641 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -23.665
Base-Backbone interact. energy: -0.737
local terms energy: -43.880619
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -4.889
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: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -229.747975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.747975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.747975 (E_RNA)
where:
Base-Base interactions energy: -149.340
where: short stacking energy: -77.672
Base-Backbone interact. energy: -0.101
local terms energy: -80.307277
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -224.995316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.995316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.995316 (E_RNA)
where:
Base-Base interactions energy: -152.003
where: short stacking energy: -76.809
Base-Backbone interact. energy: -0.137
local terms energy: -72.855086
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -20.230
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: 104
Temperature: 1.000000
Total energy: -185.891824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.891824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.891824 (E_RNA)
where:
Base-Base interactions energy: -110.963
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.090
local terms energy: -74.839722
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -193.913946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.913946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.913946 (E_RNA)
where:
Base-Base interactions energy: -123.019
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.107
local terms energy: -70.787974
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -168.783558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.783558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.783558 (E_RNA)
where:
Base-Base interactions energy: -105.380
where: short stacking energy: -58.205
Base-Backbone interact. energy: -0.186
local terms energy: -63.218062
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -11.792
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: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -174.193711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.193711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.193711 (E_RNA)
where:
Base-Base interactions energy: -102.151
where: short stacking energy: -54.823
Base-Backbone interact. energy: -0.417
local terms energy: -71.626205
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -102.152545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.152545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.152545 (E_RNA)
where:
Base-Base interactions energy: -44.709
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.265
local terms energy: -57.178514
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -8.857
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: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -92.102570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.102570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.102570 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -36.466
Base-Backbone interact. energy: -0.059
local terms energy: -54.970005
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -91.203915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.203915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.203915 (E_RNA)
where:
Base-Base interactions energy: -34.355
where: short stacking energy: -34.355
Base-Backbone interact. energy: -0.387
local terms energy: -56.461806
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -122.423518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.423518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.423518 (E_RNA)
where:
Base-Base interactions energy: -74.419
where: short stacking energy: -39.942
Base-Backbone interact. energy: -0.120
local terms energy: -47.884745
where:
bonds (distance) C4'-P energy: -8.266
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -222.656440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.656440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.656440 (E_RNA)
where:
Base-Base interactions energy: -146.233
where: short stacking energy: -73.821
Base-Backbone interact. energy: -0.121
local terms energy: -76.302343
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -226.927730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.927730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.927730 (E_RNA)
where:
Base-Base interactions energy: -145.295
where: short stacking energy: -72.869
Base-Backbone interact. energy: -0.005
local terms energy: -81.628526
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -23.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -182.108695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.108695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.108695 (E_RNA)
where:
Base-Base interactions energy: -114.341
where: short stacking energy: -52.892
Base-Backbone interact. energy: -0.144
local terms energy: -67.623700
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -179.425553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.425553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.425553 (E_RNA)
where:
Base-Base interactions energy: -112.541
where: short stacking energy: -62.065
Base-Backbone interact. energy: -0.111
local terms energy: -66.774091
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.285
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: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -156.425261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.425261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.425261 (E_RNA)
where:
Base-Base interactions energy: -95.085
where: short stacking energy: -44.756
Base-Backbone interact. energy: -0.130
local terms energy: -61.209361
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -145.287181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.287181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.287181 (E_RNA)
where:
Base-Base interactions energy: -81.757
where: short stacking energy: -36.193
Base-Backbone interact. energy: -0.623
local terms energy: -62.907534
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -96.246902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.246902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.246902 (E_RNA)
where:
Base-Base interactions energy: -44.789
where: short stacking energy: -44.789
Base-Backbone interact. energy: -0.113
local terms energy: -51.344429
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -7.693
flat angles P-C4'-P energy: -12.068
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: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -98.518699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.518699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.518699 (E_RNA)
where:
Base-Base interactions energy: -48.433
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.159
local terms energy: -49.926450
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -101.405948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.405948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.405948 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -46.643
Base-Backbone interact. energy: -0.155
local terms energy: -54.607722
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -7.254
flat angles P-C4'-P energy: -11.744
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: 2
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -106.166121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.166121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.166121 (E_RNA)
where:
Base-Base interactions energy: -52.025
where: short stacking energy: -24.065
Base-Backbone interact. energy: -0.043
local terms energy: -54.098644
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: 0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -229.238393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.238393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.238393 (E_RNA)
where:
Base-Base interactions energy: -151.287
where: short stacking energy: -69.125
Base-Backbone interact. energy: -0.003
local terms energy: -77.948627
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -216.748885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.748885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.748885 (E_RNA)
where:
Base-Base interactions energy: -141.276
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.470
local terms energy: -75.003116
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -9.204
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: 3, replica: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -176.645158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.645158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.645158 (E_RNA)
where:
Base-Base interactions energy: -101.513
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.035
local terms energy: -75.097230
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -190.839584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.839584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.839584 (E_RNA)
where:
Base-Base interactions energy: -117.438
where: short stacking energy: -55.426
Base-Backbone interact. energy: -0.339
local terms energy: -73.063105
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -169.626990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.626990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.626990 (E_RNA)
where:
Base-Base interactions energy: -100.788
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.450
local terms energy: -68.389677
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -158.895013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.895013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.895013 (E_RNA)
where:
Base-Base interactions energy: -101.896
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.469
local terms energy: -56.530357
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -88.292290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.292290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.292290 (E_RNA)
where:
Base-Base interactions energy: -29.564
where: short stacking energy: -29.021
Base-Backbone interact. energy: -0.107
local terms energy: -58.621922
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -3.498
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: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -97.529592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.529592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.529592 (E_RNA)
where:
Base-Base interactions energy: -41.424
where: short stacking energy: -25.102
Base-Backbone interact. energy: -0.257
local terms energy: -55.848506
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -12.326
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: 9, replica: 2
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -90.512660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.512660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.512660 (E_RNA)
where:
Base-Base interactions energy: -37.744
where: short stacking energy: -37.744
Base-Backbone interact. energy: -0.103
local terms energy: -52.665571
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -1.751
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -72.036990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.036990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.036990 (E_RNA)
where:
Base-Base interactions energy: -23.201
where: short stacking energy: -22.919
Base-Backbone interact. energy: 0.055
local terms energy: -48.890833
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -222.883140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.883140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.883140 (E_RNA)
where:
Base-Base interactions energy: -143.157
where: short stacking energy: -57.425
Base-Backbone interact. energy: -1.586
local terms energy: -78.140708
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -12.264
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: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -217.816139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.816139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.816139 (E_RNA)
where:
Base-Base interactions energy: -137.036
where: short stacking energy: -51.634
Base-Backbone interact. energy: -2.091
local terms energy: -78.689539
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -163.249617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.249617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.249617 (E_RNA)
where:
Base-Base interactions energy: -100.284
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.062
local terms energy: -62.903819
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -10.619
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: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -184.538669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.538669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.538669 (E_RNA)
where:
Base-Base interactions energy: -115.873
where: short stacking energy: -55.695
Base-Backbone interact. energy: -0.065
local terms energy: -68.600211
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -164.446187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.446187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.446187 (E_RNA)
where:
Base-Base interactions energy: -98.004
where: short stacking energy: -55.020
Base-Backbone interact. energy: -0.106
local terms energy: -66.335480
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -172.780644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.780644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.780644 (E_RNA)
where:
Base-Base interactions energy: -100.555
where: short stacking energy: -51.545
Base-Backbone interact. energy: -0.771
local terms energy: -71.454719
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -91.074772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.074772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.074772 (E_RNA)
where:
Base-Base interactions energy: -37.332
where: short stacking energy: -37.332
Base-Backbone interact. energy: -0.046
local terms energy: -53.697178
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -83.872282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.872282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.872282 (E_RNA)
where:
Base-Base interactions energy: -34.297
where: short stacking energy: -34.297
Base-Backbone interact. energy: 0.810
local terms energy: -50.385951
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -77.127215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.127215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.127215 (E_RNA)
where:
Base-Base interactions energy: -36.443
where: short stacking energy: -28.074
Base-Backbone interact. energy: 1.164
local terms energy: -41.848119
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -5.178
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: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -77.305560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.305560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.305560 (E_RNA)
where:
Base-Base interactions energy: -32.653
where: short stacking energy: -30.046
Base-Backbone interact. energy: 0.472
local terms energy: -45.124021
where:
bonds (distance) C4'-P energy: -6.460
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -228.475361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.475361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.475361 (E_RNA)
where:
Base-Base interactions energy: -157.720
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.104
local terms energy: -70.651999
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -220.749406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.749406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.749406 (E_RNA)
where:
Base-Base interactions energy: -142.306
where: short stacking energy: -61.713
Base-Backbone interact. energy: -0.476
local terms energy: -77.967513
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.844
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: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -188.720262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.720262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.720262 (E_RNA)
where:
Base-Base interactions energy: -121.323
where: short stacking energy: -57.433
Base-Backbone interact. energy: -0.098
local terms energy: -67.299542
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -149.291822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.291822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.291822 (E_RNA)
where:
Base-Base interactions energy: -86.387
where: short stacking energy: -45.033
Base-Backbone interact. energy: -0.107
local terms energy: -62.798305
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -9.514
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: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -172.866347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.866347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.866347 (E_RNA)
where:
Base-Base interactions energy: -107.497
where: short stacking energy: -57.364
Base-Backbone interact. energy: -0.184
local terms energy: -65.185258
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -161.254508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.254508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.254508 (E_RNA)
where:
Base-Base interactions energy: -101.369
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.200
local terms energy: -59.685864
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.151
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: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -89.072352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.072352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.072352 (E_RNA)
where:
Base-Base interactions energy: -38.481
where: short stacking energy: -29.127
Base-Backbone interact. energy: -1.010
local terms energy: -49.581232
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -1.625
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: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -86.771606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.771606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.771606 (E_RNA)
where:
Base-Base interactions energy: -37.395
where: short stacking energy: -21.233
Base-Backbone interact. energy: -0.271
local terms energy: -49.106232
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -82.173544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.173544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.173544 (E_RNA)
where:
Base-Base interactions energy: -33.518
where: short stacking energy: -20.483
Base-Backbone interact. energy: -0.310
local terms energy: -48.345206
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: 1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -76.376087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.376087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.376087 (E_RNA)
where:
Base-Base interactions energy: -21.607
where: short stacking energy: -19.414
Base-Backbone interact. energy: -0.200
local terms energy: -54.569223
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -9.757
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: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -223.148388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.148388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.148388 (E_RNA)
where:
Base-Base interactions energy: -144.456
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.008
local terms energy: -78.684634
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -213.196972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.196972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.196972 (E_RNA)
where:
Base-Base interactions energy: -144.869
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.609
local terms energy: -67.719189
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -180.318538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.318538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.318538 (E_RNA)
where:
Base-Base interactions energy: -112.828
where: short stacking energy: -57.284
Base-Backbone interact. energy: 0.788
local terms energy: -68.278355
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -15.377
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: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -172.621468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.621468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.621468 (E_RNA)
where:
Base-Base interactions energy: -106.480
where: short stacking energy: -54.380
Base-Backbone interact. energy: -0.077
local terms energy: -66.065238
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -164.141652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.141652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.141652 (E_RNA)
where:
Base-Base interactions energy: -102.194
where: short stacking energy: -47.874
Base-Backbone interact. energy: -0.033
local terms energy: -61.913938
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -159.699822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.699822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.699822 (E_RNA)
where:
Base-Base interactions energy: -92.452
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.141
local terms energy: -67.106718
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -99.240015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.240015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.240015 (E_RNA)
where:
Base-Base interactions energy: -45.849
where: short stacking energy: -40.541
Base-Backbone interact. energy: -0.032
local terms energy: -53.358108
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -101.284254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.284254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.284254 (E_RNA)
where:
Base-Base interactions energy: -58.313
where: short stacking energy: -31.454
Base-Backbone interact. energy: -0.002
local terms energy: -42.968665
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -2.721
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -82.673626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.673626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.673626 (E_RNA)
where:
Base-Base interactions energy: -32.517
where: short stacking energy: -31.318
Base-Backbone interact. energy: -0.020
local terms energy: -50.135991
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -79.095170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.095170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.095170 (E_RNA)
where:
Base-Base interactions energy: -21.936
where: short stacking energy: -21.936
Base-Backbone interact. energy: -0.679
local terms energy: -56.479904
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -4.043
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: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -222.475698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.475698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.475698 (E_RNA)
where:
Base-Base interactions energy: -145.130
where: short stacking energy: -61.611
Base-Backbone interact. energy: -1.466
local terms energy: -75.879833
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -217.908063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.908063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.908063 (E_RNA)
where:
Base-Base interactions energy: -145.665
where: short stacking energy: -65.429
Base-Backbone interact. energy: 3.191
local terms energy: -75.434292
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -19.959
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: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -184.629762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.629762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.629762 (E_RNA)
where:
Base-Base interactions energy: -117.155
where: short stacking energy: -69.003
Base-Backbone interact. energy: -1.891
local terms energy: -65.583530
where:
bonds (distance) C4'-P energy: -7.518
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -21.054
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: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -158.007750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.007750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.007750 (E_RNA)
where:
Base-Base interactions energy: -92.371
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.018
local terms energy: -65.618576
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -16.546
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: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -163.680853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.680853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.680853 (E_RNA)
where:
Base-Base interactions energy: -102.969
where: short stacking energy: -57.003
Base-Backbone interact. energy: -0.016
local terms energy: -60.695320
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -146.588203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.588203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.588203 (E_RNA)
where:
Base-Base interactions energy: -93.307
where: short stacking energy: -42.213
Base-Backbone interact. energy: -0.716
local terms energy: -52.564560
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -150.003690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.003690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.003690 (E_RNA)
where:
Base-Base interactions energy: -96.003
where: short stacking energy: -35.758
Base-Backbone interact. energy: -1.213
local terms energy: -52.787360
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -6.936
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -9.446
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: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -114.856703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.856703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.856703 (E_RNA)
where:
Base-Base interactions energy: -67.821
where: short stacking energy: -34.915
Base-Backbone interact. energy: 0.378
local terms energy: -47.414208
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -83.683143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.683143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.683143 (E_RNA)
where:
Base-Base interactions energy: -35.657
where: short stacking energy: -27.191
Base-Backbone interact. energy: -0.190
local terms energy: -47.836093
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -10.020
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: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -84.317422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.317422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.317422 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -30.447
Base-Backbone interact. energy: -0.051
local terms energy: -50.564493
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -221.708920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.708920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.708920 (E_RNA)
where:
Base-Base interactions energy: -148.426
where: short stacking energy: -73.231
Base-Backbone interact. energy: -0.085
local terms energy: -73.197684
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -221.242012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.242012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.242012 (E_RNA)
where:
Base-Base interactions energy: -142.782
where: short stacking energy: -67.049
Base-Backbone interact. energy: -0.011
local terms energy: -78.448813
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -20.542
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: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -193.199986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.199986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.199986 (E_RNA)
where:
Base-Base interactions energy: -123.611
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.532
local terms energy: -69.057468
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -153.662177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.662177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.662177 (E_RNA)
where:
Base-Base interactions energy: -88.922
where: short stacking energy: -37.171
Base-Backbone interact. energy: -0.510
local terms energy: -64.230560
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -169.580180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.580180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.580180 (E_RNA)
where:
Base-Base interactions energy: -107.297
where: short stacking energy: -50.738
Base-Backbone interact. energy: -0.077
local terms energy: -62.205689
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -11.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -150.091459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.091459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.091459 (E_RNA)
where:
Base-Base interactions energy: -91.936
where: short stacking energy: -46.748
Base-Backbone interact. energy: -0.181
local terms energy: -57.974516
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -10.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -161.943332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.943332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.943332 (E_RNA)
where:
Base-Base interactions energy: -106.762
where: short stacking energy: -56.484
Base-Backbone interact. energy: -0.219
local terms energy: -54.962860
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -81.579542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.579542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.579542 (E_RNA)
where:
Base-Base interactions energy: -35.642
where: short stacking energy: -30.935
Base-Backbone interact. energy: 1.132
local terms energy: -47.069494
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -9.378
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -1.310
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: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -132.949836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.949836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.949836 (E_RNA)
where:
Base-Base interactions energy: -79.958
where: short stacking energy: -36.811
Base-Backbone interact. energy: -1.438
local terms energy: -51.553810
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -74.107914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.107914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.107914 (E_RNA)
where:
Base-Base interactions energy: -24.676
where: short stacking energy: -18.634
Base-Backbone interact. energy: -0.179
local terms energy: -49.252180
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -7.428
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: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -225.360533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.360533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.360533 (E_RNA)
where:
Base-Base interactions energy: -151.398
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.293
local terms energy: -73.669728
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -218.473918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.473918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.473918 (E_RNA)
where:
Base-Base interactions energy: -143.447
where: short stacking energy: -65.916
Base-Backbone interact. energy: -1.638
local terms energy: -73.387987
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -158.730063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.730063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.730063 (E_RNA)
where:
Base-Base interactions energy: -94.641
where: short stacking energy: -45.551
Base-Backbone interact. energy: -0.953
local terms energy: -63.135763
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -178.891805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.891805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.891805 (E_RNA)
where:
Base-Base interactions energy: -115.231
where: short stacking energy: -49.914
Base-Backbone interact. energy: 1.099
local terms energy: -64.759571
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -12.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -170.246964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.246964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.246964 (E_RNA)
where:
Base-Base interactions energy: -103.150
where: short stacking energy: -47.049
Base-Backbone interact. energy: -2.426
local terms energy: -64.670865
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -11.040
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: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -140.306185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.306185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.306185 (E_RNA)
where:
Base-Base interactions energy: -83.144
where: short stacking energy: -54.835
Base-Backbone interact. energy: -0.428
local terms energy: -56.734513
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -87.864017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.864017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.864017 (E_RNA)
where:
Base-Base interactions energy: -37.476
where: short stacking energy: -21.188
Base-Backbone interact. energy: -0.315
local terms energy: -50.072708
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -138.576641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.576641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.576641 (E_RNA)
where:
Base-Base interactions energy: -86.573
where: short stacking energy: -28.685
Base-Backbone interact. energy: 0.052
local terms energy: -52.055853
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -4.380
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: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -118.877578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.877578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.877578 (E_RNA)
where:
Base-Base interactions energy: -64.631
where: short stacking energy: -26.844
Base-Backbone interact. energy: -0.591
local terms energy: -53.655825
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -1.461
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: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -88.125760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.125760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.125760 (E_RNA)
where:
Base-Base interactions energy: -35.411
where: short stacking energy: -31.591
Base-Backbone interact. energy: 1.081
local terms energy: -53.795135
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -221.744299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.744299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.744299 (E_RNA)
where:
Base-Base interactions energy: -144.258
where: short stacking energy: -66.036
Base-Backbone interact. energy: -0.945
local terms energy: -76.541213
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -220.726695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.726695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.726695 (E_RNA)
where:
Base-Base interactions energy: -142.232
where: short stacking energy: -71.882
Base-Backbone interact. energy: -0.182
local terms energy: -78.313119
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -22.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -173.382114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.382114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.382114 (E_RNA)
where:
Base-Base interactions energy: -100.601
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.599
local terms energy: -72.182652
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -6.832
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: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -169.103910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.103910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.103910 (E_RNA)
where:
Base-Base interactions energy: -99.783
where: short stacking energy: -48.882
Base-Backbone interact. energy: -1.054
local terms energy: -68.267248
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -167.158664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.158664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.158664 (E_RNA)
where:
Base-Base interactions energy: -104.565
where: short stacking energy: -53.250
Base-Backbone interact. energy: 1.282
local terms energy: -63.875633
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -157.674883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.674883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.674883 (E_RNA)
where:
Base-Base interactions energy: -98.344
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.481
local terms energy: -58.849723
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -9.831
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: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -93.275926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.275926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.275926 (E_RNA)
where:
Base-Base interactions energy: -30.078
where: short stacking energy: -27.235
Base-Backbone interact. energy: -0.304
local terms energy: -62.893771
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -106.099863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.099863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.099863 (E_RNA)
where:
Base-Base interactions energy: -57.975
where: short stacking energy: -32.341
Base-Backbone interact. energy: -0.174
local terms energy: -47.950874
where:
bonds (distance) C4'-P energy: -7.203
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -9.595
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: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -82.545987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.545987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.545987 (E_RNA)
where:
Base-Base interactions energy: -31.106
where: short stacking energy: -26.014
Base-Backbone interact. energy: 0.339
local terms energy: -51.778281
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -80.660593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.660593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.660593 (E_RNA)
where:
Base-Base interactions energy: -20.046
where: short stacking energy: -20.046
Base-Backbone interact. energy: -0.218
local terms energy: -60.395826
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -4.106
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: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -220.144720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.144720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.144720 (E_RNA)
where:
Base-Base interactions energy: -144.147
where: short stacking energy: -66.613
Base-Backbone interact. energy: -0.240
local terms energy: -75.757048
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.212
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: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -220.966928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.966928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.966928 (E_RNA)
where:
Base-Base interactions energy: -143.674
where: short stacking energy: -72.880
Base-Backbone interact. energy: -0.980
local terms energy: -76.312986
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -19.613
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: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -178.934285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.934285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.934285 (E_RNA)
where:
Base-Base interactions energy: -115.885
where: short stacking energy: -49.763
Base-Backbone interact. energy: -0.656
local terms energy: -62.394070
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -10.182
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: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -179.969867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.969867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.969867 (E_RNA)
where:
Base-Base interactions energy: -113.518
where: short stacking energy: -58.678
Base-Backbone interact. energy: -0.075
local terms energy: -66.376905
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -207.944217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.944217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.944217 (E_RNA)
where:
Base-Base interactions energy: -140.260
where: short stacking energy: -49.664
Base-Backbone interact. energy: -0.016
local terms energy: -67.667786
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -156.051237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.051237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.051237 (E_RNA)
where:
Base-Base interactions energy: -85.190
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.259
local terms energy: -70.602000
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -106.735121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.735121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.735121 (E_RNA)
where:
Base-Base interactions energy: -55.980
where: short stacking energy: -38.829
Base-Backbone interact. energy: -0.052
local terms energy: -50.702609
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -8.695
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: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -100.431940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.431940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.431940 (E_RNA)
where:
Base-Base interactions energy: -48.846
where: short stacking energy: -34.967
Base-Backbone interact. energy: 0.031
local terms energy: -51.616307
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -74.624246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.624246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.624246 (E_RNA)
where:
Base-Base interactions energy: -32.970
where: short stacking energy: -30.583
Base-Backbone interact. energy: -0.032
local terms energy: -41.621770
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -77.368302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.368302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.368302 (E_RNA)
where:
Base-Base interactions energy: -32.255
where: short stacking energy: -22.309
Base-Backbone interact. energy: 0.976
local terms energy: -46.089307
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -216.298854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.298854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.298854 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.000
local terms energy: -73.923548
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -218.644815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.644815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.644815 (E_RNA)
where:
Base-Base interactions energy: -145.360
where: short stacking energy: -64.915
Base-Backbone interact. energy: -0.001
local terms energy: -73.284017
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -189.234959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.234959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.234959 (E_RNA)
where:
Base-Base interactions energy: -118.665
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.334
local terms energy: -70.235979
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -15.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -210.178509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.178509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.178509 (E_RNA)
where:
Base-Base interactions energy: -146.810
where: short stacking energy: -61.525
Base-Backbone interact. energy: -0.009
local terms energy: -63.359051
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -152.088534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.088534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.088534 (E_RNA)
where:
Base-Base interactions energy: -96.605
where: short stacking energy: -48.484
Base-Backbone interact. energy: -0.085
local terms energy: -55.397964
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -168.451487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.451487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.451487 (E_RNA)
where:
Base-Base interactions energy: -106.419
where: short stacking energy: -56.826
Base-Backbone interact. energy: -0.395
local terms energy: -61.638322
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -7.716
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -110.168751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.168751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.168751 (E_RNA)
where:
Base-Base interactions energy: -53.155
where: short stacking energy: -26.470
Base-Backbone interact. energy: 1.807
local terms energy: -58.820611
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -88.405046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.405046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.405046 (E_RNA)
where:
Base-Base interactions energy: -33.903
where: short stacking energy: -30.975
Base-Backbone interact. energy: -0.033
local terms energy: -54.468288
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -9.743
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: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -89.290375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.290375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.290375 (E_RNA)
where:
Base-Base interactions energy: -35.961
where: short stacking energy: -34.530
Base-Backbone interact. energy: -0.236
local terms energy: -53.092855
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -82.947430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.947430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.947430 (E_RNA)
where:
Base-Base interactions energy: -32.605
where: short stacking energy: -32.605
Base-Backbone interact. energy: -0.247
local terms energy: -50.094938
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -8.979
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -230.359007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.359007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.359007 (E_RNA)
where:
Base-Base interactions energy: -147.890
where: short stacking energy: -74.163
Base-Backbone interact. energy: -0.360
local terms energy: -82.108232
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -214.265159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.265159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.265159 (E_RNA)
where:
Base-Base interactions energy: -136.366
where: short stacking energy: -63.178
Base-Backbone interact. energy: -1.444
local terms energy: -76.454531
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -214.045834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.045834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.045834 (E_RNA)
where:
Base-Base interactions energy: -146.768
where: short stacking energy: -63.069
Base-Backbone interact. energy: -0.389
local terms energy: -66.888263
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -177.554679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.554679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.554679 (E_RNA)
where:
Base-Base interactions energy: -108.271
where: short stacking energy: -47.844
Base-Backbone interact. energy: -0.602
local terms energy: -68.681871
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -12.868
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: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -178.839889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.839889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.839889 (E_RNA)
where:
Base-Base interactions energy: -110.352
where: short stacking energy: -57.599
Base-Backbone interact. energy: -1.148
local terms energy: -67.340399
where:
bonds (distance) C4'-P energy: -5.773
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -164.551173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.551173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.551173 (E_RNA)
where:
Base-Base interactions energy: -102.183
where: short stacking energy: -55.538
Base-Backbone interact. energy: 0.193
local terms energy: -62.561331
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -101.115115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.115115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.115115 (E_RNA)
where:
Base-Base interactions energy: -44.828
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.005
local terms energy: -56.281766
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.264
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: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -87.817946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.817946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.817946 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -33.770
Base-Backbone interact. energy: -0.062
local terms energy: -53.986108
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -8.362
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: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -78.532648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.532648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.532648 (E_RNA)
where:
Base-Base interactions energy: -27.373
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.061
local terms energy: -51.098434
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -97.867070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.867070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.867070 (E_RNA)
where:
Base-Base interactions energy: -48.359
where: short stacking energy: -34.655
Base-Backbone interact. energy: -0.296
local terms energy: -49.212249
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -2.751
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: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -219.374074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.374074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.374074 (E_RNA)
where:
Base-Base interactions energy: -144.439
where: short stacking energy: -60.556
Base-Backbone interact. energy: -1.230
local terms energy: -73.704288
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -201.123093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.123093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.123093 (E_RNA)
where:
Base-Base interactions energy: -134.344
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.028
local terms energy: -66.751059
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -10.330
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: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -208.279335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.279335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.279335 (E_RNA)
where:
Base-Base interactions energy: -138.571
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.018
local terms energy: -69.690382
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -159.902452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.902452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.902452 (E_RNA)
where:
Base-Base interactions energy: -104.164
where: short stacking energy: -42.446
Base-Backbone interact. energy: -0.179
local terms energy: -55.558772
where:
bonds (distance) C4'-P energy: -5.873
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -12.033
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: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -169.548318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.548318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.548318 (E_RNA)
where:
Base-Base interactions energy: -107.793
where: short stacking energy: -61.333
Base-Backbone interact. energy: -0.599
local terms energy: -61.156728
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -166.410719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.410719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.410719 (E_RNA)
where:
Base-Base interactions energy: -98.306
where: short stacking energy: -50.172
Base-Backbone interact. energy: -0.591
local terms energy: -67.514056
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -90.775774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.775774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.775774 (E_RNA)
where:
Base-Base interactions energy: -37.179
where: short stacking energy: -34.566
Base-Backbone interact. energy: -0.234
local terms energy: -53.363204
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -2.849
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: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -99.997874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.997874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.997874 (E_RNA)
where:
Base-Base interactions energy: -39.319
where: short stacking energy: -39.319
Base-Backbone interact. energy: -0.001
local terms energy: -60.678242
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -87.156347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.156347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.156347 (E_RNA)
where:
Base-Base interactions energy: -32.220
where: short stacking energy: -32.220
Base-Backbone interact. energy: 0.781
local terms energy: -55.717352
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -4.143
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -76.548994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.548994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.548994 (E_RNA)
where:
Base-Base interactions energy: -33.784
where: short stacking energy: -23.574
Base-Backbone interact. energy: 2.820
local terms energy: -45.585508
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -7.724
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -211.913429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.913429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.913429 (E_RNA)
where:
Base-Base interactions energy: -150.166
where: short stacking energy: -47.625
Base-Backbone interact. energy: -0.285
local terms energy: -61.462284
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -7.156
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: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -198.992298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.992298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.992298 (E_RNA)
where:
Base-Base interactions energy: -131.593
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.040
local terms energy: -67.358749
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -208.727367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.727367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.727367 (E_RNA)
where:
Base-Base interactions energy: -136.054
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.002
local terms energy: -72.671343
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -13.282
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: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -174.125241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.125241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.125241 (E_RNA)
where:
Base-Base interactions energy: -110.694
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.684
local terms energy: -62.747723
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -152.003205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.003205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.003205 (E_RNA)
where:
Base-Base interactions energy: -88.589
where: short stacking energy: -54.846
Base-Backbone interact. energy: 1.588
local terms energy: -65.002411
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -156.972648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.972648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.972648 (E_RNA)
where:
Base-Base interactions energy: -99.872
where: short stacking energy: -48.138
Base-Backbone interact. energy: -0.396
local terms energy: -56.704139
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -85.110114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.110114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.110114 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -35.161
Base-Backbone interact. energy: -0.182
local terms energy: -49.766923
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -93.535480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.535480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.535480 (E_RNA)
where:
Base-Base interactions energy: -46.374
where: short stacking energy: -36.913
Base-Backbone interact. energy: -0.186
local terms energy: -46.975842
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -10.344
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: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -87.485223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.485223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.485223 (E_RNA)
where:
Base-Base interactions energy: -31.404
where: short stacking energy: -31.404
Base-Backbone interact. energy: -0.100
local terms energy: -55.980669
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -8.822
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: 2
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -70.982153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.982153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.982153 (E_RNA)
where:
Base-Base interactions energy: -29.715
where: short stacking energy: -26.879
Base-Backbone interact. energy: 0.173
local terms energy: -41.440339
where:
bonds (distance) C4'-P energy: -7.106
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: 2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -212.934069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.934069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.934069 (E_RNA)
where:
Base-Base interactions energy: -146.903
where: short stacking energy: -53.246
Base-Backbone interact. energy: -0.272
local terms energy: -65.759152
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -228.541366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.541366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.541366 (E_RNA)
where:
Base-Base interactions energy: -150.273
where: short stacking energy: -75.104
Base-Backbone interact. energy: -0.012
local terms energy: -78.256482
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -198.146127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.146127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.146127 (E_RNA)
where:
Base-Base interactions energy: -136.113
where: short stacking energy: -55.741
Base-Backbone interact. energy: -1.272
local terms energy: -60.761633
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -5.750
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: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -180.168334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.168334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.168334 (E_RNA)
where:
Base-Base interactions energy: -111.558
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.001
local terms energy: -68.609557
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -167.600840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.600840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.600840 (E_RNA)
where:
Base-Base interactions energy: -102.926
where: short stacking energy: -51.876
Base-Backbone interact. energy: -0.357
local terms energy: -64.317616
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -97.445515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.445515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.445515 (E_RNA)
where:
Base-Base interactions energy: -39.754
where: short stacking energy: -28.076
Base-Backbone interact. energy: 0.062
local terms energy: -57.752940
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -155.089000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.089000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.089000 (E_RNA)
where:
Base-Base interactions energy: -92.325
where: short stacking energy: -52.512
Base-Backbone interact. energy: -0.528
local terms energy: -62.236632
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -12.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -96.729694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.729694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.729694 (E_RNA)
where:
Base-Base interactions energy: -45.949
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.328
local terms energy: -50.452415
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -78.056998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.056998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.056998 (E_RNA)
where:
Base-Base interactions energy: -26.930
where: short stacking energy: -21.775
Base-Backbone interact. energy: -0.064
local terms energy: -51.062360
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -87.235608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.235608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.235608 (E_RNA)
where:
Base-Base interactions energy: -44.881
where: short stacking energy: -23.097
Base-Backbone interact. energy: -0.601
local terms energy: -41.753395
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -231.402790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.402790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.402790 (E_RNA)
where:
Base-Base interactions energy: -148.736
where: short stacking energy: -65.637
Base-Backbone interact. energy: -1.748
local terms energy: -80.918679
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -18.745
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: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -226.091447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.091447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.091447 (E_RNA)
where:
Base-Base interactions energy: -153.121
where: short stacking energy: -72.973
Base-Backbone interact. energy: -0.006
local terms energy: -72.963739
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -208.317320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.317320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.317320 (E_RNA)
where:
Base-Base interactions energy: -134.281
where: short stacking energy: -63.437
Base-Backbone interact. energy: -0.255
local terms energy: -73.780669
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -175.180905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.180905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.180905 (E_RNA)
where:
Base-Base interactions energy: -102.875
where: short stacking energy: -58.627
Base-Backbone interact. energy: 0.294
local terms energy: -72.599386
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -166.023636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.023636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.023636 (E_RNA)
where:
Base-Base interactions energy: -105.936
where: short stacking energy: -44.985
Base-Backbone interact. energy: -0.790
local terms energy: -59.297214
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -111.387605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.387605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.387605 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -37.096
Base-Backbone interact. energy: -0.312
local terms energy: -70.571962
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -158.112151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.112151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.112151 (E_RNA)
where:
Base-Base interactions energy: -102.303
where: short stacking energy: -53.008
Base-Backbone interact. energy: -0.074
local terms energy: -55.735326
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -95.604967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.604967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.604967 (E_RNA)
where:
Base-Base interactions energy: -43.699
where: short stacking energy: -35.034
Base-Backbone interact. energy: -0.005
local terms energy: -51.900823
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -7.034
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: 2
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -87.845959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.845959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.845959 (E_RNA)
where:
Base-Base interactions energy: -31.177
where: short stacking energy: -30.278
Base-Backbone interact. energy: -0.242
local terms energy: -56.426336
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -89.779522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.779522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.779522 (E_RNA)
where:
Base-Base interactions energy: -40.238
where: short stacking energy: -39.926
Base-Backbone interact. energy: -0.095
local terms energy: -49.447285
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -1.930
tors. eta vs tors. theta energy: -11.603
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: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -228.803875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.803875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.803875 (E_RNA)
where:
Base-Base interactions energy: -153.863
where: short stacking energy: -66.538
Base-Backbone interact. energy: -0.060
local terms energy: -74.880913
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -217.612726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.612726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.612726 (E_RNA)
where:
Base-Base interactions energy: -143.539
where: short stacking energy: -70.706
Base-Backbone interact. energy: -0.210
local terms energy: -73.864336
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -214.133141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.133141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.133141 (E_RNA)
where:
Base-Base interactions energy: -146.236
where: short stacking energy: -57.270
Base-Backbone interact. energy: -1.270
local terms energy: -66.626973
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -187.592858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.592858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.592858 (E_RNA)
where:
Base-Base interactions energy: -117.303
where: short stacking energy: -67.783
Base-Backbone interact. energy: -0.022
local terms energy: -70.267322
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -181.256460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.256460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.256460 (E_RNA)
where:
Base-Base interactions energy: -119.858
where: short stacking energy: -62.830
Base-Backbone interact. energy: -0.922
local terms energy: -60.477344
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -171.742317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.742317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.742317 (E_RNA)
where:
Base-Base interactions energy: -102.610
where: short stacking energy: -51.392
Base-Backbone interact. energy: -0.333
local terms energy: -68.799039
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -95.535956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.535956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.535956 (E_RNA)
where:
Base-Base interactions energy: -42.389
where: short stacking energy: -38.165
Base-Backbone interact. energy: 0.196
local terms energy: -53.342764
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -93.147116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.147116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.147116 (E_RNA)
where:
Base-Base interactions energy: -49.290
where: short stacking energy: -36.724
Base-Backbone interact. energy: 1.377
local terms energy: -45.234049
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -5.201
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -9.100
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: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -101.941565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.941565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.941565 (E_RNA)
where:
Base-Base interactions energy: -54.410
where: short stacking energy: -38.326
Base-Backbone interact. energy: -0.125
local terms energy: -47.407255
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -2.101
tors. eta vs tors. theta energy: -8.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -80.053603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053603 (E_RNA)
where:
Base-Base interactions energy: -34.449
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.003
local terms energy: -45.601668
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -0.945
tors. eta vs tors. theta energy: -3.248
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: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -229.762656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.762656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.762656 (E_RNA)
where:
Base-Base interactions energy: -151.650
where: short stacking energy: -69.857
Base-Backbone interact. energy: -0.001
local terms energy: -78.111006
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -216.882224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.882224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.882224 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.013
local terms energy: -78.856602
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -214.294218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.294218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.294218 (E_RNA)
where:
Base-Base interactions energy: -142.782
where: short stacking energy: -69.483
Base-Backbone interact. energy: -0.839
local terms energy: -70.673411
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -192.293790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.293790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.293790 (E_RNA)
where:
Base-Base interactions energy: -120.215
where: short stacking energy: -59.615
Base-Backbone interact. energy: -2.732
local terms energy: -69.347077
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -142.324487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.324487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.324487 (E_RNA)
where:
Base-Base interactions energy: -86.311
where: short stacking energy: -42.107
Base-Backbone interact. energy: -0.108
local terms energy: -55.906142
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -10.099
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -152.924934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.924934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.924934 (E_RNA)
where:
Base-Base interactions energy: -91.235
where: short stacking energy: -42.784
Base-Backbone interact. energy: -0.137
local terms energy: -61.553125
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -87.683945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.683945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.683945 (E_RNA)
where:
Base-Base interactions energy: -30.162
where: short stacking energy: -30.162
Base-Backbone interact. energy: -0.104
local terms energy: -57.417487
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -93.464144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464144 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -34.076
Base-Backbone interact. energy: -0.007
local terms energy: -57.323358
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -92.885957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.885957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.885957 (E_RNA)
where:
Base-Base interactions energy: -34.293
where: short stacking energy: -34.293
Base-Backbone interact. energy: -0.271
local terms energy: -58.322254
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -102.319526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.319526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.319526 (E_RNA)
where:
Base-Base interactions energy: -40.092
where: short stacking energy: -35.931
Base-Backbone interact. energy: -0.109
local terms energy: -62.118665
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -226.441222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.441222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.441222 (E_RNA)
where:
Base-Base interactions energy: -150.366
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.024
local terms energy: -76.050373
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -21.461
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: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -216.624849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.624849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.624849 (E_RNA)
where:
Base-Base interactions energy: -147.279
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.065
local terms energy: -69.280219
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -214.123216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.123216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.123216 (E_RNA)
where:
Base-Base interactions energy: -138.893
where: short stacking energy: -60.465
Base-Backbone interact. energy: -0.081
local terms energy: -75.150170
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -164.636301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.636301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.636301 (E_RNA)
where:
Base-Base interactions energy: -101.334
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.772
local terms energy: -62.530017
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -7.065
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: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -161.469272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.469272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.469272 (E_RNA)
where:
Base-Base interactions energy: -88.259
where: short stacking energy: -50.952
Base-Backbone interact. energy: -0.770
local terms energy: -72.440542
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -161.929857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.929857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.929857 (E_RNA)
where:
Base-Base interactions energy: -99.741
where: short stacking energy: -56.514
Base-Backbone interact. energy: -0.891
local terms energy: -61.298037
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -11.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -92.399789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.399789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.399789 (E_RNA)
where:
Base-Base interactions energy: -32.521
where: short stacking energy: -27.802
Base-Backbone interact. energy: -0.266
local terms energy: -59.612034
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -85.298512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.298512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.298512 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -33.671
Base-Backbone interact. energy: -0.032
local terms energy: -51.595400
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -77.528194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.528194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.528194 (E_RNA)
where:
Base-Base interactions energy: -36.941
where: short stacking energy: -26.705
Base-Backbone interact. energy: -0.060
local terms energy: -40.526818
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -97.442196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.442196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.442196 (E_RNA)
where:
Base-Base interactions energy: -47.484
where: short stacking energy: -47.143
Base-Backbone interact. energy: -0.077
local terms energy: -49.880791
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -224.294329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.294329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.294329 (E_RNA)
where:
Base-Base interactions energy: -147.157
where: short stacking energy: -64.478
Base-Backbone interact. energy: -0.001
local terms energy: -77.135993
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -220.626583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.626583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.626583 (E_RNA)
where:
Base-Base interactions energy: -144.960
where: short stacking energy: -63.866
Base-Backbone interact. energy: -0.002
local terms energy: -75.665071
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -22.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -214.323409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.323409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.323409 (E_RNA)
where:
Base-Base interactions energy: -140.430
where: short stacking energy: -67.667
Base-Backbone interact. energy: -0.263
local terms energy: -73.630070
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -199.475623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.475623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.475623 (E_RNA)
where:
Base-Base interactions energy: -125.873
where: short stacking energy: -73.561
Base-Backbone interact. energy: -0.000
local terms energy: -73.602437
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -9.872
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: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -173.538173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.538173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.538173 (E_RNA)
where:
Base-Base interactions energy: -112.326
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.013
local terms energy: -61.199385
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -8.527
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: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -177.169581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.169581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.169581 (E_RNA)
where:
Base-Base interactions energy: -114.490
where: short stacking energy: -60.500
Base-Backbone interact. energy: -0.508
local terms energy: -62.171577
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -13.771
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: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -90.167844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.167844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.167844 (E_RNA)
where:
Base-Base interactions energy: -32.410
where: short stacking energy: -31.299
Base-Backbone interact. energy: 1.730
local terms energy: -59.487675
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -4.213
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: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -87.384386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.384386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.384386 (E_RNA)
where:
Base-Base interactions energy: -28.658
where: short stacking energy: -28.658
Base-Backbone interact. energy: 0.429
local terms energy: -59.154587
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -109.670556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.670556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.670556 (E_RNA)
where:
Base-Base interactions energy: -56.913
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.171
local terms energy: -52.586062
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -81.533777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.533777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.533777 (E_RNA)
where:
Base-Base interactions energy: -26.838
where: short stacking energy: -23.183
Base-Backbone interact. energy: -0.117
local terms energy: -54.579276
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -229.789598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.789598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.789598 (E_RNA)
where:
Base-Base interactions energy: -147.858
where: short stacking energy: -74.248
Base-Backbone interact. energy: -0.000
local terms energy: -81.930716
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -22.284
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: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -216.366051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.366051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.366051 (E_RNA)
where:
Base-Base interactions energy: -142.515
where: short stacking energy: -65.428
Base-Backbone interact. energy: -0.184
local terms energy: -73.667427
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -216.731261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.731261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.731261 (E_RNA)
where:
Base-Base interactions energy: -139.506
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.003
local terms energy: -77.222308
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -18.959
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: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -184.361018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.361018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.361018 (E_RNA)
where:
Base-Base interactions energy: -112.527
where: short stacking energy: -54.992
Base-Backbone interact. energy: -0.088
local terms energy: -71.746103
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -165.208282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.208282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.208282 (E_RNA)
where:
Base-Base interactions energy: -104.527
where: short stacking energy: -48.887
Base-Backbone interact. energy: -0.262
local terms energy: -60.419584
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -146.979339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.979339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.979339 (E_RNA)
where:
Base-Base interactions energy: -94.536
where: short stacking energy: -46.989
Base-Backbone interact. energy: -0.901
local terms energy: -51.542338
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -6.111
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -8.302
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: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -115.211546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.211546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.211546 (E_RNA)
where:
Base-Base interactions energy: -58.838
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.227
local terms energy: -56.146414
where:
bonds (distance) C4'-P energy: -7.733
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -121.815071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.815071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.815071 (E_RNA)
where:
Base-Base interactions energy: -65.132
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.074
local terms energy: -56.608159
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -88.328461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.328461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.328461 (E_RNA)
where:
Base-Base interactions energy: -46.136
where: short stacking energy: -25.259
Base-Backbone interact. energy: -0.592
local terms energy: -41.600271
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -5.459
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: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -85.352094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.352094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.352094 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.227
local terms energy: -49.949177
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -7.866
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: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -217.997828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.997828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.997828 (E_RNA)
where:
Base-Base interactions energy: -144.049
where: short stacking energy: -67.136
Base-Backbone interact. energy: 0.208
local terms energy: -74.157582
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -218.466207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.466207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.466207 (E_RNA)
where:
Base-Base interactions energy: -140.004
where: short stacking energy: -66.614
Base-Backbone interact. energy: -0.221
local terms energy: -78.241810
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -21.334
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: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -209.700249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.700249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.700249 (E_RNA)
where:
Base-Base interactions energy: -144.047
where: short stacking energy: -61.113
Base-Backbone interact. energy: -0.027
local terms energy: -65.626256
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -9.729
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: 4, replica: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -181.314027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.314027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.314027 (E_RNA)
where:
Base-Base interactions energy: -115.409
where: short stacking energy: -56.256
Base-Backbone interact. energy: 1.082
local terms energy: -66.987412
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -10.728
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: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -145.749433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.749433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.749433 (E_RNA)
where:
Base-Base interactions energy: -83.344
where: short stacking energy: -40.222
Base-Backbone interact. energy: -0.166
local terms energy: -62.239460
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -9.310
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: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -161.168971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.168971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.168971 (E_RNA)
where:
Base-Base interactions energy: -100.148
where: short stacking energy: -57.243
Base-Backbone interact. energy: -0.000
local terms energy: -61.020424
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -90.026474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.026474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.026474 (E_RNA)
where:
Base-Base interactions energy: -40.717
where: short stacking energy: -40.717
Base-Backbone interact. energy: -0.328
local terms energy: -48.980800
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: 1.058
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -91.757886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.757886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.757886 (E_RNA)
where:
Base-Base interactions energy: -45.821
where: short stacking energy: -41.530
Base-Backbone interact. energy: -0.243
local terms energy: -45.694662
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -7.738
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: 126
Temperature: 1.300000
Total energy: -80.187338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187338 (E_RNA)
where:
Base-Base interactions energy: -28.486
where: short stacking energy: -20.185
Base-Backbone interact. energy: -0.201
local terms energy: -51.499957
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -77.403415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.403415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.403415 (E_RNA)
where:
Base-Base interactions energy: -27.552
where: short stacking energy: -26.948
Base-Backbone interact. energy: -0.260
local terms energy: -49.591741
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -2.696
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: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -218.072746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.072746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.072746 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.073
local terms energy: -72.491959
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -224.226575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.226575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.226575 (E_RNA)
where:
Base-Base interactions energy: -148.192
where: short stacking energy: -70.804
Base-Backbone interact. energy: 0.050
local terms energy: -76.084132
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -208.921308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.921308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.921308 (E_RNA)
where:
Base-Base interactions energy: -141.916
where: short stacking energy: -49.515
Base-Backbone interact. energy: -0.663
local terms energy: -66.341635
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -171.247819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.247819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.247819 (E_RNA)
where:
Base-Base interactions energy: -104.187
where: short stacking energy: -58.005
Base-Backbone interact. energy: -1.203
local terms energy: -65.857969
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -175.234618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.234618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.234618 (E_RNA)
where:
Base-Base interactions energy: -113.514
where: short stacking energy: -50.521
Base-Backbone interact. energy: -0.160
local terms energy: -61.560178
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -10.727
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: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -162.129027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.129027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.129027 (E_RNA)
where:
Base-Base interactions energy: -101.770
where: short stacking energy: -52.023
Base-Backbone interact. energy: -0.099
local terms energy: -60.260303
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -6.636
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: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -107.614809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.614809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.614809 (E_RNA)
where:
Base-Base interactions energy: -51.238
where: short stacking energy: -29.881
Base-Backbone interact. energy: -0.086
local terms energy: -56.291048
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -98.866667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.866667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.866667 (E_RNA)
where:
Base-Base interactions energy: -44.158
where: short stacking energy: -41.027
Base-Backbone interact. energy: -0.007
local terms energy: -54.701401
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -8.383
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: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -86.091735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.091735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.091735 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -29.209
Base-Backbone interact. energy: -1.417
local terms energy: -48.936907
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -1.040
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: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -78.461165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.461165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.461165 (E_RNA)
where:
Base-Base interactions energy: -36.389
where: short stacking energy: -36.389
Base-Backbone interact. energy: -0.099
local terms energy: -41.973300
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -7.882
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: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -226.420327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.420327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.420327 (E_RNA)
where:
Base-Base interactions energy: -157.349
where: short stacking energy: -67.978
Base-Backbone interact. energy: 0.012
local terms energy: -69.083441
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -213.018320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.018320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.018320 (E_RNA)
where:
Base-Base interactions energy: -146.721
where: short stacking energy: -53.149
Base-Backbone interact. energy: -0.159
local terms energy: -66.138443
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -184.787647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.787647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.787647 (E_RNA)
where:
Base-Base interactions energy: -120.426
where: short stacking energy: -53.968
Base-Backbone interact. energy: -0.763
local terms energy: -63.598041
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -210.375497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.375497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.375497 (E_RNA)
where:
Base-Base interactions energy: -140.418
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.007
local terms energy: -69.949991
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -168.399904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.399904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.399904 (E_RNA)
where:
Base-Base interactions energy: -102.518
where: short stacking energy: -56.181
Base-Backbone interact. energy: -0.003
local terms energy: -65.879387
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.351
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: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -170.451174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.451174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.451174 (E_RNA)
where:
Base-Base interactions energy: -103.418
where: short stacking energy: -52.757
Base-Backbone interact. energy: -0.153
local terms energy: -66.880000
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -120.823710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.823710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.823710 (E_RNA)
where:
Base-Base interactions energy: -56.796
where: short stacking energy: -45.105
Base-Backbone interact. energy: -0.087
local terms energy: -63.940280
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -12.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -101.950113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.950113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.950113 (E_RNA)
where:
Base-Base interactions energy: -46.343
where: short stacking energy: -33.493
Base-Backbone interact. energy: -0.694
local terms energy: -54.913454
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -78.987761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.987761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.987761 (E_RNA)
where:
Base-Base interactions energy: -31.303
where: short stacking energy: -31.303
Base-Backbone interact. energy: 0.109
local terms energy: -47.794129
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -83.786588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.786588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.786588 (E_RNA)
where:
Base-Base interactions energy: -27.024
where: short stacking energy: -26.217
Base-Backbone interact. energy: 2.201
local terms energy: -58.964026
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -231.179835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.179835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.179835 (E_RNA)
where:
Base-Base interactions energy: -158.071
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.172
local terms energy: -72.936504
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -182.916794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.916794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.916794 (E_RNA)
where:
Base-Base interactions energy: -111.385
where: short stacking energy: -59.539
Base-Backbone interact. energy: -0.492
local terms energy: -71.038917
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -210.222945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.222945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.222945 (E_RNA)
where:
Base-Base interactions energy: -139.459
where: short stacking energy: -54.404
Base-Backbone interact. energy: -1.590
local terms energy: -69.173540
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -209.626112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.626112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.626112 (E_RNA)
where:
Base-Base interactions energy: -144.933
where: short stacking energy: -52.669
Base-Backbone interact. energy: -1.590
local terms energy: -63.103250
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -157.149908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.149908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.149908 (E_RNA)
where:
Base-Base interactions energy: -95.942
where: short stacking energy: -39.361
Base-Backbone interact. energy: -0.090
local terms energy: -61.118439
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -156.734443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.734443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.734443 (E_RNA)
where:
Base-Base interactions energy: -94.614
where: short stacking energy: -45.998
Base-Backbone interact. energy: -0.032
local terms energy: -62.088858
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -110.244740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.244740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.244740 (E_RNA)
where:
Base-Base interactions energy: -58.500
where: short stacking energy: -31.304
Base-Backbone interact. energy: -0.080
local terms energy: -51.664972
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -83.774281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.774281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.774281 (E_RNA)
where:
Base-Base interactions energy: -38.706
where: short stacking energy: -26.841
Base-Backbone interact. energy: -0.438
local terms energy: -44.630243
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -7.970
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: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -81.810548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.810548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.810548 (E_RNA)
where:
Base-Base interactions energy: -35.925
where: short stacking energy: -32.186
Base-Backbone interact. energy: -0.093
local terms energy: -45.792863
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -2.607
flat angles P-C4'-P energy: -9.626
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: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -82.659249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.659249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.659249 (E_RNA)
where:
Base-Base interactions energy: -32.270
where: short stacking energy: -25.121
Base-Backbone interact. energy: -0.320
local terms energy: -50.068939
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -195.658605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.658605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.658605 (E_RNA)
where:
Base-Base interactions energy: -119.460
where: short stacking energy: -71.379
Base-Backbone interact. energy: -0.140
local terms energy: -76.058912
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -216.716763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.716763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.716763 (E_RNA)
where:
Base-Base interactions energy: -138.042
where: short stacking energy: -60.294
Base-Backbone interact. energy: -1.099
local terms energy: -77.576163
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -221.526013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.526013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.526013 (E_RNA)
where:
Base-Base interactions energy: -148.251
where: short stacking energy: -56.045
Base-Backbone interact. energy: -0.922
local terms energy: -72.353289
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -214.221642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.221642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.221642 (E_RNA)
where:
Base-Base interactions energy: -145.540
where: short stacking energy: -48.029
Base-Backbone interact. energy: -0.014
local terms energy: -68.667260
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -179.453189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.453189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.453189 (E_RNA)
where:
Base-Base interactions energy: -108.294
where: short stacking energy: -66.677
Base-Backbone interact. energy: -0.098
local terms energy: -71.062004
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -154.152203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.152203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.152203 (E_RNA)
where:
Base-Base interactions energy: -99.149
where: short stacking energy: -49.213
Base-Backbone interact. energy: -0.424
local terms energy: -54.578606
where:
bonds (distance) C4'-P energy: -7.148
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -143.733781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.733781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.733781 (E_RNA)
where:
Base-Base interactions energy: -85.580
where: short stacking energy: -54.709
Base-Backbone interact. energy: -0.104
local terms energy: -58.050458
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -6.386
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: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -89.803902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.803902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.803902 (E_RNA)
where:
Base-Base interactions energy: -34.504
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.073
local terms energy: -55.226276
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -7.349
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -7.040
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: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -89.474054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.474054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.474054 (E_RNA)
where:
Base-Base interactions energy: -32.622
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.460
local terms energy: -56.391534
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -74.560191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.560191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.560191 (E_RNA)
where:
Base-Base interactions energy: -31.797
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.082
local terms energy: -42.681337
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -204.297289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.297289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.297289 (E_RNA)
where:
Base-Base interactions energy: -121.957
where: short stacking energy: -64.952
Base-Backbone interact. energy: -1.364
local terms energy: -80.976396
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -20.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -224.375887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.375887 (E_RNA)
where:
Base-Base interactions energy: -144.677
where: short stacking energy: -72.994
Base-Backbone interact. energy: -0.003
local terms energy: -79.696543
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -20.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -200.476416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.476416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.476416 (E_RNA)
where:
Base-Base interactions energy: -132.267
where: short stacking energy: -58.686
Base-Backbone interact. energy: -0.047
local terms energy: -68.162415
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -204.738479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.738479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.738479 (E_RNA)
where:
Base-Base interactions energy: -142.421
where: short stacking energy: -49.971
Base-Backbone interact. energy: -0.042
local terms energy: -62.275127
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -174.074702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.074702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.074702 (E_RNA)
where:
Base-Base interactions energy: -108.420
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.543
local terms energy: -65.111391
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -159.387311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.387311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.387311 (E_RNA)
where:
Base-Base interactions energy: -101.334
where: short stacking energy: -58.368
Base-Backbone interact. energy: -0.478
local terms energy: -57.575076
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -14.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -141.223554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.223554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.223554 (E_RNA)
where:
Base-Base interactions energy: -81.078
where: short stacking energy: -42.004
Base-Backbone interact. energy: -0.896
local terms energy: -59.249037
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -92.044882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.044882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.044882 (E_RNA)
where:
Base-Base interactions energy: -40.193
where: short stacking energy: -27.701
Base-Backbone interact. energy: -0.382
local terms energy: -51.469397
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -84.069914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.069914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.069914 (E_RNA)
where:
Base-Base interactions energy: -32.289
where: short stacking energy: -30.745
Base-Backbone interact. energy: -0.604
local terms energy: -51.177100
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -79.699300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.699300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.699300 (E_RNA)
where:
Base-Base interactions energy: -31.080
where: short stacking energy: -24.662
Base-Backbone interact. energy: -0.284
local terms energy: -48.335237
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -228.547343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.547343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.547343 (E_RNA)
where:
Base-Base interactions energy: -151.938
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.027
local terms energy: -76.582413
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -183.464036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.464036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.464036 (E_RNA)
where:
Base-Base interactions energy: -112.677
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.043
local terms energy: -70.743822
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -212.376477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.376477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.376477 (E_RNA)
where:
Base-Base interactions energy: -143.974
where: short stacking energy: -71.253
Base-Backbone interact. energy: -0.723
local terms energy: -67.679156
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -215.558391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.558391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.558391 (E_RNA)
where:
Base-Base interactions energy: -137.589
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.534
local terms energy: -77.435385
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -165.894154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.894154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.894154 (E_RNA)
where:
Base-Base interactions energy: -103.054
where: short stacking energy: -50.195
Base-Backbone interact. energy: -0.113
local terms energy: -62.726659
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -8.605
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -160.229554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.229554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.229554 (E_RNA)
where:
Base-Base interactions energy: -102.656
where: short stacking energy: -49.003
Base-Backbone interact. energy: -1.214
local terms energy: -56.359517
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -11.499
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: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -123.793411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.793411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.793411 (E_RNA)
where:
Base-Base interactions energy: -72.758
where: short stacking energy: -38.915
Base-Backbone interact. energy: -0.995
local terms energy: -50.041211
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -6.483
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: 132
Temperature: 1.250000
Total energy: -93.976966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.976966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.976966 (E_RNA)
where:
Base-Base interactions energy: -44.685
where: short stacking energy: -35.138
Base-Backbone interact. energy: 2.507
local terms energy: -51.798634
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -11.997
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: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -88.158055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.158055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.158055 (E_RNA)
where:
Base-Base interactions energy: -35.984
where: short stacking energy: -35.984
Base-Backbone interact. energy: -0.136
local terms energy: -52.037411
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -4.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -73.739913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.739913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.739913 (E_RNA)
where:
Base-Base interactions energy: -26.964
where: short stacking energy: -16.037
Base-Backbone interact. energy: -0.145
local terms energy: -46.631021
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -220.483134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.483134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.483134 (E_RNA)
where:
Base-Base interactions energy: -142.776
where: short stacking energy: -61.943
Base-Backbone interact. energy: -0.026
local terms energy: -77.681384
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -219.378944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.378944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.378944 (E_RNA)
where:
Base-Base interactions energy: -141.072
where: short stacking energy: -71.897
Base-Backbone interact. energy: -0.374
local terms energy: -77.932686
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -205.137562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.137562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.137562 (E_RNA)
where:
Base-Base interactions energy: -133.523
where: short stacking energy: -68.130
Base-Backbone interact. energy: 1.387
local terms energy: -73.001309
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -214.070603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.070603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.070603 (E_RNA)
where:
Base-Base interactions energy: -141.847
where: short stacking energy: -66.499
Base-Backbone interact. energy: -0.007
local terms energy: -72.216717
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -160.671015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.671015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.671015 (E_RNA)
where:
Base-Base interactions energy: -96.021
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.032
local terms energy: -64.617784
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -12.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -153.400216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.400216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.400216 (E_RNA)
where:
Base-Base interactions energy: -95.361
where: short stacking energy: -47.845
Base-Backbone interact. energy: -0.066
local terms energy: -57.973202
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -5.959
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: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -93.810623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.810623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.810623 (E_RNA)
where:
Base-Base interactions energy: -36.188
where: short stacking energy: -35.207
Base-Backbone interact. energy: -0.087
local terms energy: -57.535174
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -91.344601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.344601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.344601 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -27.880
Base-Backbone interact. energy: -0.685
local terms energy: -52.379314
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -5.873
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: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -83.309411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.309411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.309411 (E_RNA)
where:
Base-Base interactions energy: -25.319
where: short stacking energy: -23.548
Base-Backbone interact. energy: -0.154
local terms energy: -57.837230
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -76.300067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.300067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.300067 (E_RNA)
where:
Base-Base interactions energy: -27.248
where: short stacking energy: -24.576
Base-Backbone interact. energy: -0.042
local terms energy: -49.009903
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -222.399077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.399077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.399077 (E_RNA)
where:
Base-Base interactions energy: -145.439
where: short stacking energy: -60.428
Base-Backbone interact. energy: -0.268
local terms energy: -76.691705
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -218.533953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.533953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.533953 (E_RNA)
where:
Base-Base interactions energy: -141.939
where: short stacking energy: -56.664
Base-Backbone interact. energy: -0.657
local terms energy: -75.937911
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -215.211393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.211393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.211393 (E_RNA)
where:
Base-Base interactions energy: -148.628
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.016
local terms energy: -66.566639
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -196.943951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.943951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.943951 (E_RNA)
where:
Base-Base interactions energy: -123.206
where: short stacking energy: -70.436
Base-Backbone interact. energy: -0.452
local terms energy: -73.286315
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -8.909
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: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -175.642464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.642464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.642464 (E_RNA)
where:
Base-Base interactions energy: -111.693
where: short stacking energy: -60.180
Base-Backbone interact. energy: -0.269
local terms energy: -63.679834
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -161.234348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.234348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.234348 (E_RNA)
where:
Base-Base interactions energy: -96.673
where: short stacking energy: -46.950
Base-Backbone interact. energy: -0.882
local terms energy: -63.679548
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -93.884605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.884605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.884605 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -33.650
Base-Backbone interact. energy: -0.038
local terms energy: -51.413637
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -4.916
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -92.162310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.162310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.162310 (E_RNA)
where:
Base-Base interactions energy: -49.244
where: short stacking energy: -24.315
Base-Backbone interact. energy: -0.026
local terms energy: -42.893166
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: 1.817
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: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -85.882734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.882734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.882734 (E_RNA)
where:
Base-Base interactions energy: -37.138
where: short stacking energy: -33.090
Base-Backbone interact. energy: -0.220
local terms energy: -48.524191
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -81.329306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.329306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.329306 (E_RNA)
where:
Base-Base interactions energy: -37.976
where: short stacking energy: -36.242
Base-Backbone interact. energy: -0.120
local terms energy: -43.232767
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -214.873007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.873007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.873007 (E_RNA)
where:
Base-Base interactions energy: -146.070
where: short stacking energy: -58.670
Base-Backbone interact. energy: -0.710
local terms energy: -68.093709
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -222.990735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.990735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.990735 (E_RNA)
where:
Base-Base interactions energy: -147.911
where: short stacking energy: -63.411
Base-Backbone interact. energy: -1.193
local terms energy: -73.886542
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -219.684214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.684214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.684214 (E_RNA)
where:
Base-Base interactions energy: -146.312
where: short stacking energy: -62.118
Base-Backbone interact. energy: -0.624
local terms energy: -72.748879
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -176.059703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.059703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.059703 (E_RNA)
where:
Base-Base interactions energy: -110.757
where: short stacking energy: -63.327
Base-Backbone interact. energy: 0.619
local terms energy: -65.922117
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -12.457
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: 135
Temperature: 1.100000
Total energy: -170.999328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.999328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.999328 (E_RNA)
where:
Base-Base interactions energy: -105.846
where: short stacking energy: -50.770
Base-Backbone interact. energy: -1.175
local terms energy: -63.978506
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -137.014126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.014126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.014126 (E_RNA)
where:
Base-Base interactions energy: -80.053
where: short stacking energy: -44.740
Base-Backbone interact. energy: 0.985
local terms energy: -57.945730
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -9.952
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: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -84.561245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.561245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.561245 (E_RNA)
where:
Base-Base interactions energy: -31.459
where: short stacking energy: -31.459
Base-Backbone interact. energy: -1.007
local terms energy: -52.095649
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -6.915
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: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -89.863761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.863761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.863761 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -32.288
Base-Backbone interact. energy: -0.808
local terms energy: -56.767037
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -86.232949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.232949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.232949 (E_RNA)
where:
Base-Base interactions energy: -32.207
where: short stacking energy: -23.109
Base-Backbone interact. energy: -0.737
local terms energy: -53.288630
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -2.778
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: 10, replica: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -74.170758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.170758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.170758 (E_RNA)
where:
Base-Base interactions energy: -28.730
where: short stacking energy: -19.047
Base-Backbone interact. energy: 0.180
local terms energy: -45.621524
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -0.228
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: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -231.347552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.347552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.347552 (E_RNA)
where:
Base-Base interactions energy: -144.061
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.454
local terms energy: -86.832813
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -211.005175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.005175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.005175 (E_RNA)
where:
Base-Base interactions energy: -145.323
where: short stacking energy: -54.732
Base-Backbone interact. energy: -0.019
local terms energy: -65.663703
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -195.321549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.321549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.321549 (E_RNA)
where:
Base-Base interactions energy: -125.996
where: short stacking energy: -63.376
Base-Backbone interact. energy: -0.012
local terms energy: -69.314131
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -213.640788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.640788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.640788 (E_RNA)
where:
Base-Base interactions energy: -134.186
where: short stacking energy: -61.645
Base-Backbone interact. energy: -0.001
local terms energy: -79.454165
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -163.550918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.550918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.550918 (E_RNA)
where:
Base-Base interactions energy: -101.819
where: short stacking energy: -48.619
Base-Backbone interact. energy: -0.070
local terms energy: -61.661383
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -110.718551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.718551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.718551 (E_RNA)
where:
Base-Base interactions energy: -43.627
where: short stacking energy: -32.031
Base-Backbone interact. energy: -0.109
local terms energy: -66.982467
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -84.952548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.952548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.952548 (E_RNA)
where:
Base-Base interactions energy: -31.263
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.062
local terms energy: -53.627648
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -88.474747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.474747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.474747 (E_RNA)
where:
Base-Base interactions energy: -32.784
where: short stacking energy: -28.619
Base-Backbone interact. energy: -0.555
local terms energy: -55.136496
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -83.295164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.295164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.295164 (E_RNA)
where:
Base-Base interactions energy: -27.893
where: short stacking energy: -27.714
Base-Backbone interact. energy: -0.072
local terms energy: -55.330775
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -82.432379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.432379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.432379 (E_RNA)
where:
Base-Base interactions energy: -33.490
where: short stacking energy: -24.226
Base-Backbone interact. energy: -1.302
local terms energy: -47.640794
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -228.570694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.570694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.570694 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -66.701
Base-Backbone interact. energy: -0.244
local terms energy: -79.926290
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -211.586150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.586150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.586150 (E_RNA)
where:
Base-Base interactions energy: -146.841
where: short stacking energy: -49.586
Base-Backbone interact. energy: -0.382
local terms energy: -64.362933
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -9.380
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: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -174.894329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.894329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.894329 (E_RNA)
where:
Base-Base interactions energy: -108.288
where: short stacking energy: -58.277
Base-Backbone interact. energy: -0.161
local terms energy: -66.445738
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -208.617035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.617035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.617035 (E_RNA)
where:
Base-Base interactions energy: -143.019
where: short stacking energy: -49.956
Base-Backbone interact. energy: -0.063
local terms energy: -65.535677
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -165.569143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.569143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.569143 (E_RNA)
where:
Base-Base interactions energy: -101.771
where: short stacking energy: -55.931
Base-Backbone interact. energy: 0.984
local terms energy: -64.781935
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -100.401550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.401550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.401550 (E_RNA)
where:
Base-Base interactions energy: -44.937
where: short stacking energy: -30.788
Base-Backbone interact. energy: 0.156
local terms energy: -55.620803
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -9.069
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: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -91.186979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.186979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.186979 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.815
local terms energy: -50.336266
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -130.208592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.208592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.208592 (E_RNA)
where:
Base-Base interactions energy: -74.676
where: short stacking energy: -38.389
Base-Backbone interact. energy: 1.647
local terms energy: -57.179213
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -88.808008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.808008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.808008 (E_RNA)
where:
Base-Base interactions energy: -39.907
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.048
local terms energy: -48.853617
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -83.719846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.719846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.719846 (E_RNA)
where:
Base-Base interactions energy: -30.911
where: short stacking energy: -22.610
Base-Backbone interact. energy: -0.300
local terms energy: -52.508894
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.229
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: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -216.187036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.187036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.187036 (E_RNA)
where:
Base-Base interactions energy: -148.420
where: short stacking energy: -57.871
Base-Backbone interact. energy: 0.392
local terms energy: -68.159735
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -224.089274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.089274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.089274 (E_RNA)
where:
Base-Base interactions energy: -143.908
where: short stacking energy: -70.730
Base-Backbone interact. energy: -0.026
local terms energy: -80.155822
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -8.838
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: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -204.811013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.811013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.811013 (E_RNA)
where:
Base-Base interactions energy: -144.456
where: short stacking energy: -60.780
Base-Backbone interact. energy: -0.108
local terms energy: -60.247094
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -175.538341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.538341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.538341 (E_RNA)
where:
Base-Base interactions energy: -100.837
where: short stacking energy: -60.927
Base-Backbone interact. energy: -0.089
local terms energy: -74.612251
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -162.231412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.231412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.231412 (E_RNA)
where:
Base-Base interactions energy: -97.343
where: short stacking energy: -48.496
Base-Backbone interact. energy: -0.006
local terms energy: -64.882247
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -94.267590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.267590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.267590 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -31.710
Base-Backbone interact. energy: -0.510
local terms energy: -58.581570
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -131.656341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.656341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.656341 (E_RNA)
where:
Base-Base interactions energy: -71.562
where: short stacking energy: -41.611
Base-Backbone interact. energy: -0.090
local terms energy: -60.004316
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -11.328
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: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -91.570500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.570500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.570500 (E_RNA)
where:
Base-Base interactions energy: -45.421
where: short stacking energy: -34.816
Base-Backbone interact. energy: -0.055
local terms energy: -46.095215
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -7.205
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -90.679178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.679178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.679178 (E_RNA)
where:
Base-Base interactions energy: -32.335
where: short stacking energy: -24.174
Base-Backbone interact. energy: -0.122
local terms energy: -58.222467
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -82.967382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.967382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.967382 (E_RNA)
where:
Base-Base interactions energy: -36.981
where: short stacking energy: -33.500
Base-Backbone interact. energy: -0.034
local terms energy: -45.951865
where:
bonds (distance) C4'-P energy: -7.127
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -5.551
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: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -224.331978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.331978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.331978 (E_RNA)
where:
Base-Base interactions energy: -144.014
where: short stacking energy: -62.965
Base-Backbone interact. energy: -0.614
local terms energy: -79.703257
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -224.975796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.975796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.975796 (E_RNA)
where:
Base-Base interactions energy: -151.170
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.333
local terms energy: -73.472914
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -8.904
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: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -209.411018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.411018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.411018 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -61.735
Base-Backbone interact. energy: -1.645
local terms energy: -72.092507
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -192.210103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.210103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.210103 (E_RNA)
where:
Base-Base interactions energy: -113.651
where: short stacking energy: -61.864
Base-Backbone interact. energy: -1.922
local terms energy: -76.637101
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -186.542989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.542989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.542989 (E_RNA)
where:
Base-Base interactions energy: -120.010
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.184
local terms energy: -66.349660
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -165.064923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.064923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.064923 (E_RNA)
where:
Base-Base interactions energy: -102.093
where: short stacking energy: -56.229
Base-Backbone interact. energy: -0.292
local terms energy: -62.679777
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -87.881196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.881196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.881196 (E_RNA)
where:
Base-Base interactions energy: -28.842
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.013
local terms energy: -59.026515
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -93.195243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.195243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.195243 (E_RNA)
where:
Base-Base interactions energy: -47.116
where: short stacking energy: -37.230
Base-Backbone interact. energy: -0.143
local terms energy: -45.937022
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -9.248
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -8.650
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: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -84.022085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.022085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.022085 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.000
local terms energy: -52.666830
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -84.475764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.475764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.475764 (E_RNA)
where:
Base-Base interactions energy: -31.528
where: short stacking energy: -20.761
Base-Backbone interact. energy: -0.135
local terms energy: -52.813080
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -217.873501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.873501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.873501 (E_RNA)
where:
Base-Base interactions energy: -148.173
where: short stacking energy: -61.695
Base-Backbone interact. energy: -0.017
local terms energy: -69.683283
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -223.012626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.012626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.012626 (E_RNA)
where:
Base-Base interactions energy: -143.863
where: short stacking energy: -68.592
Base-Backbone interact. energy: 0.158
local terms energy: -79.307936
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -206.657037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.657037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.657037 (E_RNA)
where:
Base-Base interactions energy: -134.061
where: short stacking energy: -58.294
Base-Backbone interact. energy: -0.001
local terms energy: -72.594994
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -194.904690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.904690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.904690 (E_RNA)
where:
Base-Base interactions energy: -123.369
where: short stacking energy: -73.161
Base-Backbone interact. energy: -0.436
local terms energy: -71.099634
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -19.940
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: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -172.148016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.148016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.148016 (E_RNA)
where:
Base-Base interactions energy: -108.522
where: short stacking energy: -43.211
Base-Backbone interact. energy: -0.509
local terms energy: -63.117010
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -150.342170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.342170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.342170 (E_RNA)
where:
Base-Base interactions energy: -91.416
where: short stacking energy: -44.175
Base-Backbone interact. energy: -1.404
local terms energy: -57.522247
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -90.195537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.195537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.195537 (E_RNA)
where:
Base-Base interactions energy: -33.766
where: short stacking energy: -31.739
Base-Backbone interact. energy: -0.360
local terms energy: -56.069639
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -107.923752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.923752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.923752 (E_RNA)
where:
Base-Base interactions energy: -60.268
where: short stacking energy: -29.766
Base-Backbone interact. energy: -0.204
local terms energy: -47.451296
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: 0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -87.577056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.577056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.577056 (E_RNA)
where:
Base-Base interactions energy: -35.033
where: short stacking energy: -22.640
Base-Backbone interact. energy: -1.568
local terms energy: -50.975468
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -70.808260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.808260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.808260 (E_RNA)
where:
Base-Base interactions energy: -27.279
where: short stacking energy: -21.365
Base-Backbone interact. energy: -0.699
local terms energy: -42.830328
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -232.384239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.384239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.384239 (E_RNA)
where:
Base-Base interactions energy: -154.549
where: short stacking energy: -67.034
Base-Backbone interact. energy: -0.524
local terms energy: -77.311320
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -19.152
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: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -227.427171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.427171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.427171 (E_RNA)
where:
Base-Base interactions energy: -148.066
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.077
local terms energy: -79.284616
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -206.464204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.464204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.464204 (E_RNA)
where:
Base-Base interactions energy: -133.863
where: short stacking energy: -59.555
Base-Backbone interact. energy: -1.567
local terms energy: -71.034024
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -11.172
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: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -171.463671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.463671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.463671 (E_RNA)
where:
Base-Base interactions energy: -104.953
where: short stacking energy: -54.523
Base-Backbone interact. energy: -0.702
local terms energy: -65.809383
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -187.935849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.935849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.935849 (E_RNA)
where:
Base-Base interactions energy: -116.232
where: short stacking energy: -58.079
Base-Backbone interact. energy: -0.318
local terms energy: -71.386747
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -154.311282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.311282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.311282 (E_RNA)
where:
Base-Base interactions energy: -89.748
where: short stacking energy: -44.255
Base-Backbone interact. energy: -0.524
local terms energy: -64.040231
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -95.791576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.791576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.791576 (E_RNA)
where:
Base-Base interactions energy: -48.665
where: short stacking energy: -25.392
Base-Backbone interact. energy: 1.147
local terms energy: -48.273503
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -0.699
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: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -86.202903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.202903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.202903 (E_RNA)
where:
Base-Base interactions energy: -33.998
where: short stacking energy: -24.556
Base-Backbone interact. energy: -0.013
local terms energy: -52.192397
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -83.977165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.977165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.977165 (E_RNA)
where:
Base-Base interactions energy: -30.143
where: short stacking energy: -20.295
Base-Backbone interact. energy: -0.050
local terms energy: -53.784095
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -6.266
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: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -87.059025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.059025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.059025 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.126
local terms energy: -43.778134
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -1.724
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: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -222.545149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.545149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.545149 (E_RNA)
where:
Base-Base interactions energy: -142.711
where: short stacking energy: -71.198
Base-Backbone interact. energy: -0.540
local terms energy: -79.293712
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -211.411024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.411024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.411024 (E_RNA)
where:
Base-Base interactions energy: -138.478
where: short stacking energy: -55.808
Base-Backbone interact. energy: -0.047
local terms energy: -72.886381
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -207.997121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.997121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.997121 (E_RNA)
where:
Base-Base interactions energy: -145.867
where: short stacking energy: -56.647
Base-Backbone interact. energy: -1.117
local terms energy: -61.013808
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -14.107
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: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -178.172273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.172273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.172273 (E_RNA)
where:
Base-Base interactions energy: -104.365
where: short stacking energy: -61.934
Base-Backbone interact. energy: -0.037
local terms energy: -73.770285
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -167.105941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.105941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.105941 (E_RNA)
where:
Base-Base interactions energy: -99.572
where: short stacking energy: -49.334
Base-Backbone interact. energy: -0.439
local terms energy: -67.095434
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -15.252
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: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -164.272610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.272610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.272610 (E_RNA)
where:
Base-Base interactions energy: -105.335
where: short stacking energy: -57.490
Base-Backbone interact. energy: -0.001
local terms energy: -58.936451
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -86.066098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.066098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.066098 (E_RNA)
where:
Base-Base interactions energy: -39.622
where: short stacking energy: -32.772
Base-Backbone interact. energy: -0.258
local terms energy: -46.185679
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -4.713
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: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -93.580308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.580308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.580308 (E_RNA)
where:
Base-Base interactions energy: -44.509
where: short stacking energy: -31.503
Base-Backbone interact. energy: -0.017
local terms energy: -49.054831
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -7.292
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: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -86.007846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.007846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.007846 (E_RNA)
where:
Base-Base interactions energy: -31.427
where: short stacking energy: -30.147
Base-Backbone interact. energy: -0.172
local terms energy: -54.408418
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -73.130728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.130728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.130728 (E_RNA)
where:
Base-Base interactions energy: -25.001
where: short stacking energy: -25.001
Base-Backbone interact. energy: -0.252
local terms energy: -47.877096
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -219.288231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.288231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.288231 (E_RNA)
where:
Base-Base interactions energy: -141.630
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.579
local terms energy: -77.079148
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -206.920370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.920370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.920370 (E_RNA)
where:
Base-Base interactions energy: -139.676
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.058
local terms energy: -67.185817
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -5.939
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: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -208.668163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.668163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.668163 (E_RNA)
where:
Base-Base interactions energy: -143.192
where: short stacking energy: -56.110
Base-Backbone interact. energy: -0.811
local terms energy: -64.664596
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -188.085290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.085290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.085290 (E_RNA)
where:
Base-Base interactions energy: -125.106
where: short stacking energy: -73.295
Base-Backbone interact. energy: -0.338
local terms energy: -62.640582
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -171.185370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.185370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.185370 (E_RNA)
where:
Base-Base interactions energy: -103.897
where: short stacking energy: -53.657
Base-Backbone interact. energy: 1.889
local terms energy: -69.177306
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -164.075122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.075122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.075122 (E_RNA)
where:
Base-Base interactions energy: -95.601
where: short stacking energy: -47.131
Base-Backbone interact. energy: -0.027
local terms energy: -68.447211
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -96.587885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.587885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.587885 (E_RNA)
where:
Base-Base interactions energy: -36.580
where: short stacking energy: -36.148
Base-Backbone interact. energy: -0.123
local terms energy: -59.884467
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -95.489147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.489147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.489147 (E_RNA)
where:
Base-Base interactions energy: -33.571
where: short stacking energy: -33.117
Base-Backbone interact. energy: -0.066
local terms energy: -61.852291
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -12.014
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: 143
Temperature: 1.300000
Total energy: -86.005424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.005424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.005424 (E_RNA)
where:
Base-Base interactions energy: -46.781
where: short stacking energy: -35.772
Base-Backbone interact. energy: -0.300
local terms energy: -38.923666
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -5.957
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: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -88.223980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.223980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.223980 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.183
local terms energy: -47.172032
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -221.209602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.209602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.209602 (E_RNA)
where:
Base-Base interactions energy: -143.332
where: short stacking energy: -75.859
Base-Backbone interact. energy: -0.004
local terms energy: -77.873680
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -211.891985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.891985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.891985 (E_RNA)
where:
Base-Base interactions energy: -139.706
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.061
local terms energy: -72.125082
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -201.720404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.720404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.720404 (E_RNA)
where:
Base-Base interactions energy: -152.036
where: short stacking energy: -54.464
Base-Backbone interact. energy: -1.205
local terms energy: -48.478658
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -1.732
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -185.812998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.812998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.812998 (E_RNA)
where:
Base-Base interactions energy: -112.237
where: short stacking energy: -58.197
Base-Backbone interact. energy: -0.163
local terms energy: -73.412391
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -163.153630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.153630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.153630 (E_RNA)
where:
Base-Base interactions energy: -100.743
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.559
local terms energy: -61.852097
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.007
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: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -172.558487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.558487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.558487 (E_RNA)
where:
Base-Base interactions energy: -113.694
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.051
local terms energy: -58.813880
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -93.108453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.108453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.108453 (E_RNA)
where:
Base-Base interactions energy: -46.385
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.210
local terms energy: -46.513432
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -7.672
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -80.924115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.924115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.924115 (E_RNA)
where:
Base-Base interactions energy: -32.509
where: short stacking energy: -30.592
Base-Backbone interact. energy: -0.201
local terms energy: -48.213339
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -3.389
flat angles P-C4'-P energy: -11.551
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -77.782593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.782593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.782593 (E_RNA)
where:
Base-Base interactions energy: -25.503
where: short stacking energy: -24.864
Base-Backbone interact. energy: -0.621
local terms energy: -51.658708
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -77.652408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.652408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.652408 (E_RNA)
where:
Base-Base interactions energy: -32.023
where: short stacking energy: -32.023
Base-Backbone interact. energy: -0.039
local terms energy: -45.589979
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -5.126
flat angles P-C4'-P energy: -7.775
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: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -223.044560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.044560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.044560 (E_RNA)
where:
Base-Base interactions energy: -153.757
where: short stacking energy: -67.588
Base-Backbone interact. energy: -0.289
local terms energy: -68.997919
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -210.634434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.634434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.634434 (E_RNA)
where:
Base-Base interactions energy: -134.857
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.205
local terms energy: -75.572050
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -212.460092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.460092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.460092 (E_RNA)
where:
Base-Base interactions energy: -140.027
where: short stacking energy: -53.054
Base-Backbone interact. energy: -0.140
local terms energy: -72.293009
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -200.692437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.692437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.692437 (E_RNA)
where:
Base-Base interactions energy: -125.707
where: short stacking energy: -71.633
Base-Backbone interact. energy: -0.542
local terms energy: -74.443454
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -19.672
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: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -154.568500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.568500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.568500 (E_RNA)
where:
Base-Base interactions energy: -97.228
where: short stacking energy: -49.119
Base-Backbone interact. energy: -0.242
local terms energy: -57.098610
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -109.500333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.500333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.500333 (E_RNA)
where:
Base-Base interactions energy: -48.409
where: short stacking energy: -48.409
Base-Backbone interact. energy: -0.016
local terms energy: -61.075602
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -138.306493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.306493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.306493 (E_RNA)
where:
Base-Base interactions energy: -84.966
where: short stacking energy: -40.595
Base-Backbone interact. energy: -1.267
local terms energy: -52.073128
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -8.834
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: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -87.961736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.961736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.961736 (E_RNA)
where:
Base-Base interactions energy: -48.133
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.139
local terms energy: -39.689169
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -4.060
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -83.327075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.327075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.327075 (E_RNA)
where:
Base-Base interactions energy: -31.689
where: short stacking energy: -28.955
Base-Backbone interact. energy: -0.373
local terms energy: -51.265173
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -6.313
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: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -75.762466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.762466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.762466 (E_RNA)
where:
Base-Base interactions energy: -33.390
where: short stacking energy: -28.682
Base-Backbone interact. energy: -0.260
local terms energy: -42.112438
where:
bonds (distance) C4'-P energy: -8.607
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -1.861
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -215.583698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.583698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.583698 (E_RNA)
where:
Base-Base interactions energy: -151.283
where: short stacking energy: -50.058
Base-Backbone interact. energy: -2.304
local terms energy: -61.996989
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -222.998908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.998908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.998908 (E_RNA)
where:
Base-Base interactions energy: -146.886
where: short stacking energy: -70.244
Base-Backbone interact. energy: -0.012
local terms energy: -76.100746
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -207.394415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.394415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.394415 (E_RNA)
where:
Base-Base interactions energy: -146.199
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.218
local terms energy: -60.977871
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -174.282486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.282486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.282486 (E_RNA)
where:
Base-Base interactions energy: -109.329
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.553
local terms energy: -64.401171
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -175.308887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.308887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.308887 (E_RNA)
where:
Base-Base interactions energy: -105.980
where: short stacking energy: -58.765
Base-Backbone interact. energy: -0.001
local terms energy: -69.328447
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -95.635207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.635207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.635207 (E_RNA)
where:
Base-Base interactions energy: -43.135
where: short stacking energy: -40.771
Base-Backbone interact. energy: 1.071
local terms energy: -53.571814
where:
bonds (distance) C4'-P energy: -7.040
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -95.910976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.910976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.910976 (E_RNA)
where:
Base-Base interactions energy: -45.372
where: short stacking energy: -37.506
Base-Backbone interact. energy: 0.357
local terms energy: -50.895390
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -131.863134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.863134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.863134 (E_RNA)
where:
Base-Base interactions energy: -75.287
where: short stacking energy: -32.444
Base-Backbone interact. energy: -0.155
local terms energy: -56.421452
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -87.421775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.421775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.421775 (E_RNA)
where:
Base-Base interactions energy: -34.538
where: short stacking energy: -18.322
Base-Backbone interact. energy: -0.872
local terms energy: -52.012164
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -7.163
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: 146
Temperature: 1.350000
Total energy: -73.537025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.537025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.537025 (E_RNA)
where:
Base-Base interactions energy: -25.908
where: short stacking energy: -25.908
Base-Backbone interact. energy: -0.453
local terms energy: -47.176196
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -2.101
tors. eta vs tors. theta energy: -4.699
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: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -218.518531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.518531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.518531 (E_RNA)
where:
Base-Base interactions energy: -152.940
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.570
local terms energy: -65.007782
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -13.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -220.664247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.664247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.664247 (E_RNA)
where:
Base-Base interactions energy: -145.606
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.014
local terms energy: -75.043905
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -20.625
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: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -207.067632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.067632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.067632 (E_RNA)
where:
Base-Base interactions energy: -142.595
where: short stacking energy: -52.131
Base-Backbone interact. energy: -0.059
local terms energy: -64.413986
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -171.584482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.584482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.584482 (E_RNA)
where:
Base-Base interactions energy: -101.131
where: short stacking energy: -55.230
Base-Backbone interact. energy: -0.022
local terms energy: -70.431007
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -172.968532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.968532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.968532 (E_RNA)
where:
Base-Base interactions energy: -111.061
where: short stacking energy: -47.656
Base-Backbone interact. energy: -0.084
local terms energy: -61.823363
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -140.451136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.451136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.451136 (E_RNA)
where:
Base-Base interactions energy: -84.494
where: short stacking energy: -39.594
Base-Backbone interact. energy: -0.268
local terms energy: -55.688696
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -90.301024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.301024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.301024 (E_RNA)
where:
Base-Base interactions energy: -41.140
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.363
local terms energy: -48.798670
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -84.530088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.530088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.530088 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -34.182
Base-Backbone interact. energy: -0.105
local terms energy: -50.242473
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -128.294881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.294881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.294881 (E_RNA)
where:
Base-Base interactions energy: -75.430
where: short stacking energy: -44.278
Base-Backbone interact. energy: -0.192
local terms energy: -52.673182
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -77.915288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.915288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.915288 (E_RNA)
where:
Base-Base interactions energy: -24.769
where: short stacking energy: -24.769
Base-Backbone interact. energy: -0.093
local terms energy: -53.053595
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -1.498
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: 148
Temperature: 0.900000
Total energy: -228.295040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.295040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.295040 (E_RNA)
where:
Base-Base interactions energy: -153.897
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.438
local terms energy: -73.960288
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -211.941461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.941461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.941461 (E_RNA)
where:
Base-Base interactions energy: -146.453
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.291
local terms energy: -65.196687
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -208.063442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.063442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063442 (E_RNA)
where:
Base-Base interactions energy: -138.687
where: short stacking energy: -50.701
Base-Backbone interact. energy: -0.122
local terms energy: -69.254709
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -161.706661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.706661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.706661 (E_RNA)
where:
Base-Base interactions energy: -102.468
where: short stacking energy: -55.182
Base-Backbone interact. energy: -0.155
local terms energy: -59.084396
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -172.515503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.515503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.515503 (E_RNA)
where:
Base-Base interactions energy: -105.931
where: short stacking energy: -55.887
Base-Backbone interact. energy: -0.062
local terms energy: -66.522181
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -154.174360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.174360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.174360 (E_RNA)
where:
Base-Base interactions energy: -86.978
where: short stacking energy: -43.266
Base-Backbone interact. energy: -0.153
local terms energy: -67.043750
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -83.871118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.871118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.871118 (E_RNA)
where:
Base-Base interactions energy: -40.250
where: short stacking energy: -37.179
Base-Backbone interact. energy: 0.862
local terms energy: -44.483250
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -86.841970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.841970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.841970 (E_RNA)
where:
Base-Base interactions energy: -36.507
where: short stacking energy: -34.645
Base-Backbone interact. energy: -0.150
local terms energy: -50.184827
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -77.991803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.991803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.991803 (E_RNA)
where:
Base-Base interactions energy: -34.334
where: short stacking energy: -17.721
Base-Backbone interact. energy: -0.311
local terms energy: -43.345930
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -134.231163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.231163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.231163 (E_RNA)
where:
Base-Base interactions energy: -82.222
where: short stacking energy: -44.065
Base-Backbone interact. energy: -0.664
local terms energy: -51.345130
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -217.809311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.809311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.809311 (E_RNA)
where:
Base-Base interactions energy: -146.716
where: short stacking energy: -55.549
Base-Backbone interact. energy: -0.237
local terms energy: -70.855647
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -212.448822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.448822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.448822 (E_RNA)
where:
Base-Base interactions energy: -143.407
where: short stacking energy: -56.153
Base-Backbone interact. energy: -0.101
local terms energy: -68.940536
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -203.288746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.288746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.288746 (E_RNA)
where:
Base-Base interactions energy: -136.058
where: short stacking energy: -50.840
Base-Backbone interact. energy: -1.037
local terms energy: -66.193711
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -185.485485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.485485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.485485 (E_RNA)
where:
Base-Base interactions energy: -121.088
where: short stacking energy: -59.681
Base-Backbone interact. energy: -0.233
local terms energy: -64.164379
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -11.911
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: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -164.521718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.521718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.521718 (E_RNA)
where:
Base-Base interactions energy: -96.359
where: short stacking energy: -52.371
Base-Backbone interact. energy: 0.219
local terms energy: -68.381389
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -164.200133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.200133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.200133 (E_RNA)
where:
Base-Base interactions energy: -104.621
where: short stacking energy: -46.214
Base-Backbone interact. energy: -0.239
local terms energy: -59.339204
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -8.795
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: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -103.360637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.360637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.360637 (E_RNA)
where:
Base-Base interactions energy: -48.034
where: short stacking energy: -41.307
Base-Backbone interact. energy: -0.021
local terms energy: -55.305727
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -7.063
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: 149
Temperature: 1.250000
Total energy: -85.305845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.305845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.305845 (E_RNA)
where:
Base-Base interactions energy: -25.778
where: short stacking energy: -22.562
Base-Backbone interact. energy: 0.237
local terms energy: -59.764904
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -88.798464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.798464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.798464 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -32.449
Base-Backbone interact. energy: -0.079
local terms energy: -53.170164
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -5.120
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: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -82.683158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.683158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.683158 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -33.414
Base-Backbone interact. energy: 1.290
local terms energy: -50.558661
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -6.072
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: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -217.277701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.277701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.277701 (E_RNA)
where:
Base-Base interactions energy: -147.865
where: short stacking energy: -59.363
Base-Backbone interact. energy: -0.243
local terms energy: -69.169331
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -214.431337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.431337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.431337 (E_RNA)
where:
Base-Base interactions energy: -143.173
where: short stacking energy: -50.697
Base-Backbone interact. energy: -1.290
local terms energy: -69.968265
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -11.775
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: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -207.509620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.509620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.509620 (E_RNA)
where:
Base-Base interactions energy: -139.525
where: short stacking energy: -50.199
Base-Backbone interact. energy: -0.239
local terms energy: -67.746554
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -179.473192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.473192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.473192 (E_RNA)
where:
Base-Base interactions energy: -106.686
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.467
local terms energy: -72.320155
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -166.179929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.179929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.179929 (E_RNA)
where:
Base-Base interactions energy: -104.118
where: short stacking energy: -48.671
Base-Backbone interact. energy: -0.324
local terms energy: -61.737072
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -181.623585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.623585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.623585 (E_RNA)
where:
Base-Base interactions energy: -111.525
where: short stacking energy: -56.920
Base-Backbone interact. energy: 0.209
local terms energy: -70.307134
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -99.876815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.876815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.876815 (E_RNA)
where:
Base-Base interactions energy: -46.174
where: short stacking energy: -39.683
Base-Backbone interact. energy: -0.139
local terms energy: -53.563465
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -5.426
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: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -83.693451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.693451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.693451 (E_RNA)
where:
Base-Base interactions energy: -36.165
where: short stacking energy: -35.455
Base-Backbone interact. energy: -0.249
local terms energy: -47.278868
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -87.901894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.901894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.901894 (E_RNA)
where:
Base-Base interactions energy: -36.242
where: short stacking energy: -36.397
Base-Backbone interact. energy: -0.099
local terms energy: -51.560646
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -7.630
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: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -71.710630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.710630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.710630 (E_RNA)
where:
Base-Base interactions energy: -20.815
where: short stacking energy: -16.596
Base-Backbone interact. energy: 0.194
local terms energy: -51.089907
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -221.789680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.789680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789680 (E_RNA)
where:
Base-Base interactions energy: -142.479
where: short stacking energy: -48.438
Base-Backbone interact. energy: -0.782
local terms energy: -78.528019
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -210.611806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.611806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.611806 (E_RNA)
where:
Base-Base interactions energy: -141.633
where: short stacking energy: -60.607
Base-Backbone interact. energy: -0.764
local terms energy: -68.214878
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -222.136021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.136021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.136021 (E_RNA)
where:
Base-Base interactions energy: -147.270
where: short stacking energy: -53.269
Base-Backbone interact. energy: -0.092
local terms energy: -74.774041
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -193.551000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.551000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.551000 (E_RNA)
where:
Base-Base interactions energy: -115.923
where: short stacking energy: -71.483
Base-Backbone interact. energy: -1.970
local terms energy: -75.658209
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -161.111034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.111034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.111034 (E_RNA)
where:
Base-Base interactions energy: -88.917
where: short stacking energy: -47.140
Base-Backbone interact. energy: -0.014
local terms energy: -72.179724
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -164.988242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.988242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.988242 (E_RNA)
where:
Base-Base interactions energy: -96.944
where: short stacking energy: -47.278
Base-Backbone interact. energy: -0.479
local terms energy: -67.565387
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.413
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: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -85.163387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.163387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.163387 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -32.131
Base-Backbone interact. energy: -0.074
local terms energy: -52.958053
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -79.972643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.972643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.972643 (E_RNA)
where:
Base-Base interactions energy: -29.611
where: short stacking energy: -23.424
Base-Backbone interact. energy: -0.724
local terms energy: -49.637556
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -3.845
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: 9, replica: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -85.993279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.993279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.993279 (E_RNA)
where:
Base-Base interactions energy: -33.246
where: short stacking energy: -32.327
Base-Backbone interact. energy: 0.571
local terms energy: -53.317891
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -5.675
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: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -84.334069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.334069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.334069 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -15.493
Base-Backbone interact. energy: -1.935
local terms energy: -49.082295
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -213.639636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.639636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.639636 (E_RNA)
where:
Base-Base interactions energy: -149.814
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.602
local terms energy: -63.224512
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -226.889906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.889906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.889906 (E_RNA)
where:
Base-Base interactions energy: -144.334
where: short stacking energy: -65.563
Base-Backbone interact. energy: -1.877
local terms energy: -80.679068
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -210.008064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.008064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.008064 (E_RNA)
where:
Base-Base interactions energy: -148.723
where: short stacking energy: -58.324
Base-Backbone interact. energy: -0.171
local terms energy: -61.113301
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -6.224
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -178.121177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.121177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.121177 (E_RNA)
where:
Base-Base interactions energy: -112.451
where: short stacking energy: -62.185
Base-Backbone interact. energy: 3.396
local terms energy: -69.066323
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -169.981532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.981532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.981532 (E_RNA)
where:
Base-Base interactions energy: -103.137
where: short stacking energy: -51.495
Base-Backbone interact. energy: -0.010
local terms energy: -66.833947
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -150.995783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.995783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.995783 (E_RNA)
where:
Base-Base interactions energy: -84.595
where: short stacking energy: -35.862
Base-Backbone interact. energy: -0.152
local terms energy: -66.248128
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -9.178
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: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -92.493496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.493496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.493496 (E_RNA)
where:
Base-Base interactions energy: -42.176
where: short stacking energy: -30.320
Base-Backbone interact. energy: -1.530
local terms energy: -48.788271
where:
bonds (distance) C4'-P energy: -4.865
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -10.034
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: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -92.905197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.905197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.905197 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -29.334
Base-Backbone interact. energy: -0.011
local terms energy: -57.301995
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -100.259985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.259985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.259985 (E_RNA)
where:
Base-Base interactions energy: -50.484
where: short stacking energy: -27.044
Base-Backbone interact. energy: -0.373
local terms energy: -49.402741
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -1.442
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: 152
Temperature: 1.350000
Total energy: -81.672286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.672286 (E_RNA)
where:
Base-Base interactions energy: -26.993
where: short stacking energy: -26.993
Base-Backbone interact. energy: -0.059
local terms energy: -54.620573
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -6.322
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: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -207.919875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.919875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.919875 (E_RNA)
where:
Base-Base interactions energy: -142.024
where: short stacking energy: -58.613
Base-Backbone interact. energy: -0.065
local terms energy: -65.831549
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -222.698208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.698208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.698208 (E_RNA)
where:
Base-Base interactions energy: -147.738
where: short stacking energy: -67.196
Base-Backbone interact. energy: -0.061
local terms energy: -74.899086
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -214.434500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.434500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.434500 (E_RNA)
where:
Base-Base interactions energy: -145.468
where: short stacking energy: -59.771
Base-Backbone interact. energy: -0.216
local terms energy: -68.750532
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -177.067360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.067360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.067360 (E_RNA)
where:
Base-Base interactions energy: -108.702
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.634
local terms energy: -67.731149
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -13.641
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: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -173.635833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.635833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.635833 (E_RNA)
where:
Base-Base interactions energy: -100.648
where: short stacking energy: -50.064
Base-Backbone interact. energy: 0.118
local terms energy: -73.105497
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -11.338
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: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -140.962732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.962732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.962732 (E_RNA)
where:
Base-Base interactions energy: -77.003
where: short stacking energy: -37.207
Base-Backbone interact. energy: -0.031
local terms energy: -63.929206
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -100.560985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.560985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.560985 (E_RNA)
where:
Base-Base interactions energy: -39.591
where: short stacking energy: -33.690
Base-Backbone interact. energy: -0.025
local terms energy: -60.944804
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -9.509
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: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -132.523001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.523001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.523001 (E_RNA)
where:
Base-Base interactions energy: -71.251
where: short stacking energy: -43.860
Base-Backbone interact. energy: -0.049
local terms energy: -61.223423
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -99.552206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.552206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.552206 (E_RNA)
where:
Base-Base interactions energy: -47.392
where: short stacking energy: -38.635
Base-Backbone interact. energy: -0.179
local terms energy: -51.981021
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -76.157796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.157796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.157796 (E_RNA)
where:
Base-Base interactions energy: -23.066
where: short stacking energy: -16.252
Base-Backbone interact. energy: -0.452
local terms energy: -52.640512
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -228.926892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.926892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.926892 (E_RNA)
where:
Base-Base interactions energy: -147.064
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.709
local terms energy: -81.153936
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -207.324486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.324486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.324486 (E_RNA)
where:
Base-Base interactions energy: -142.287
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.232
local terms energy: -64.804905
where:
bonds (distance) C4'-P energy: -8.039
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -219.039419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.039419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.039419 (E_RNA)
where:
Base-Base interactions energy: -148.662
where: short stacking energy: -63.222
Base-Backbone interact. energy: -0.321
local terms energy: -70.056030
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -179.800917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.800917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.800917 (E_RNA)
where:
Base-Base interactions energy: -116.751
where: short stacking energy: -57.440
Base-Backbone interact. energy: -0.534
local terms energy: -62.515908
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -9.070
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: 154
Temperature: 1.100000
Total energy: -169.344216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.344216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.344216 (E_RNA)
where:
Base-Base interactions energy: -102.613
where: short stacking energy: -54.119
Base-Backbone interact. energy: -0.050
local terms energy: -66.681258
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -13.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -136.550018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.550018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.550018 (E_RNA)
where:
Base-Base interactions energy: -79.995
where: short stacking energy: -40.929
Base-Backbone interact. energy: 0.018
local terms energy: -56.573762
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -94.645090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.645090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.645090 (E_RNA)
where:
Base-Base interactions energy: -36.763
where: short stacking energy: -35.298
Base-Backbone interact. energy: -1.795
local terms energy: -56.087416
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -79.317846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.317846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.317846 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -15.671
Base-Backbone interact. energy: -0.285
local terms energy: -52.380665
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: 0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -85.179990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.179990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.179990 (E_RNA)
where:
Base-Base interactions energy: -40.168
where: short stacking energy: -27.192
Base-Backbone interact. energy: -0.484
local terms energy: -44.528654
where:
bonds (distance) C4'-P energy: -6.608
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -4.996
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: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -77.332649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.332649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.332649 (E_RNA)
where:
Base-Base interactions energy: -27.481
where: short stacking energy: -22.653
Base-Backbone interact. energy: -0.585
local terms energy: -49.267527
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -2.583
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -221.630750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.630750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.630750 (E_RNA)
where:
Base-Base interactions energy: -143.092
where: short stacking energy: -71.149
Base-Backbone interact. energy: -0.005
local terms energy: -78.534329
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -18.877
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: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -226.601827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.601827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.601827 (E_RNA)
where:
Base-Base interactions energy: -153.406
where: short stacking energy: -62.987
Base-Backbone interact. energy: -0.003
local terms energy: -73.193338
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -12.567
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: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -202.800417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.800417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.800417 (E_RNA)
where:
Base-Base interactions energy: -132.866
where: short stacking energy: -62.029
Base-Backbone interact. energy: -0.077
local terms energy: -69.857439
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -172.547551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.547551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.547551 (E_RNA)
where:
Base-Base interactions energy: -102.467
where: short stacking energy: -54.363
Base-Backbone interact. energy: -0.039
local terms energy: -70.041135
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -172.671686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.671686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.671686 (E_RNA)
where:
Base-Base interactions energy: -114.701
where: short stacking energy: -52.792
Base-Backbone interact. energy: -0.098
local terms energy: -57.872550
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -8.355
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -14.440
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: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -150.649568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.649568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.649568 (E_RNA)
where:
Base-Base interactions energy: -88.973
where: short stacking energy: -46.849
Base-Backbone interact. energy: -0.210
local terms energy: -61.466367
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -10.066
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: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -86.510486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.510486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.510486 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.229
local terms energy: -51.975375
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -6.457
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: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -88.415590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.415590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.415590 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -31.649
Base-Backbone interact. energy: 0.693
local terms energy: -46.274540
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -75.951875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.951875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.951875 (E_RNA)
where:
Base-Base interactions energy: -22.274
where: short stacking energy: -19.751
Base-Backbone interact. energy: -0.484
local terms energy: -53.193531
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -77.484619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.484619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.484619 (E_RNA)
where:
Base-Base interactions energy: -31.664
where: short stacking energy: -27.987
Base-Backbone interact. energy: -0.244
local terms energy: -45.576047
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -218.188616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.188616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.188616 (E_RNA)
where:
Base-Base interactions energy: -144.347
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.025
local terms energy: -73.816464
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -221.199308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.199308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.199308 (E_RNA)
where:
Base-Base interactions energy: -147.458
where: short stacking energy: -70.278
Base-Backbone interact. energy: -0.296
local terms energy: -73.444968
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -204.994060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.994060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.994060 (E_RNA)
where:
Base-Base interactions energy: -137.473
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.078
local terms energy: -67.442396
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -11.572
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: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -188.924970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.924970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.924970 (E_RNA)
where:
Base-Base interactions energy: -130.049
where: short stacking energy: -63.723
Base-Backbone interact. energy: -0.417
local terms energy: -58.458335
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: 0.157
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: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -166.367886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.367886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.367886 (E_RNA)
where:
Base-Base interactions energy: -97.173
where: short stacking energy: -52.029
Base-Backbone interact. energy: -0.102
local terms energy: -69.093094
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -11.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -158.236061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.236061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.236061 (E_RNA)
where:
Base-Base interactions energy: -94.098
where: short stacking energy: -44.868
Base-Backbone interact. energy: -0.933
local terms energy: -63.205005
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -89.524898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524898 (E_RNA)
where:
Base-Base interactions energy: -37.526
where: short stacking energy: -37.304
Base-Backbone interact. energy: -0.650
local terms energy: -51.348772
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -83.517701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.517701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.517701 (E_RNA)
where:
Base-Base interactions energy: -30.198
where: short stacking energy: -30.198
Base-Backbone interact. energy: -0.599
local terms energy: -52.720831
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -76.763297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.763297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.763297 (E_RNA)
where:
Base-Base interactions energy: -32.633
where: short stacking energy: -30.644
Base-Backbone interact. energy: -0.443
local terms energy: -43.687340
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -82.804244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.804244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.804244 (E_RNA)
where:
Base-Base interactions energy: -29.606
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.075
local terms energy: -53.123757
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -8.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -213.173511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.173511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.173511 (E_RNA)
where:
Base-Base interactions energy: -145.210
where: short stacking energy: -57.421
Base-Backbone interact. energy: -0.648
local terms energy: -67.316023
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.381
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: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -207.911331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.911331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.911331 (E_RNA)
where:
Base-Base interactions energy: -143.149
where: short stacking energy: -50.726
Base-Backbone interact. energy: -0.526
local terms energy: -64.236819
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -11.516
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: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -220.263366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.263366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.263366 (E_RNA)
where:
Base-Base interactions energy: -143.623
where: short stacking energy: -72.316
Base-Backbone interact. energy: -0.007
local terms energy: -76.633232
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -191.296350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.296350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.296350 (E_RNA)
where:
Base-Base interactions energy: -117.443
where: short stacking energy: -67.360
Base-Backbone interact. energy: -0.047
local terms energy: -73.805923
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -18.528
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: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -163.624369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.624369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.624369 (E_RNA)
where:
Base-Base interactions energy: -94.685
where: short stacking energy: -42.556
Base-Backbone interact. energy: -0.013
local terms energy: -68.925649
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -11.301
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: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -145.693706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.693706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.693706 (E_RNA)
where:
Base-Base interactions energy: -83.855
where: short stacking energy: -42.626
Base-Backbone interact. energy: -0.115
local terms energy: -61.723942
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -100.931737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.931737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.931737 (E_RNA)
where:
Base-Base interactions energy: -50.376
where: short stacking energy: -39.754
Base-Backbone interact. energy: -0.075
local terms energy: -50.480729
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -6.463
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -85.698117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.698117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.698117 (E_RNA)
where:
Base-Base interactions energy: -30.619
where: short stacking energy: -30.619
Base-Backbone interact. energy: -0.071
local terms energy: -55.007965
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -73.384566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.384566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.384566 (E_RNA)
where:
Base-Base interactions energy: -31.210
where: short stacking energy: -22.561
Base-Backbone interact. energy: -0.333
local terms energy: -41.841998
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -9.332
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -12.280
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: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -75.866693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.866693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.866693 (E_RNA)
where:
Base-Base interactions energy: -42.331
where: short stacking energy: -41.199
Base-Backbone interact. energy: -0.119
local terms energy: -33.416441
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -7.524
flat angles C4'-P-C4' energy: -6.474
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -3.437
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: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -213.712833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.712833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.712833 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.468
local terms energy: -72.237113
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -206.871393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.871393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.871393 (E_RNA)
where:
Base-Base interactions energy: -140.674
where: short stacking energy: -53.248
Base-Backbone interact. energy: -1.021
local terms energy: -65.176383
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -8.063
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: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -218.537819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.537819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.537819 (E_RNA)
where:
Base-Base interactions energy: -135.994
where: short stacking energy: -69.503
Base-Backbone interact. energy: -0.013
local terms energy: -82.530418
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -183.445381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.445381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.445381 (E_RNA)
where:
Base-Base interactions energy: -108.228
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.296
local terms energy: -74.921801
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -19.949
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: 158
Temperature: 1.100000
Total energy: -171.000521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.000521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.000521 (E_RNA)
where:
Base-Base interactions energy: -115.115
where: short stacking energy: -52.150
Base-Backbone interact. energy: -1.612
local terms energy: -54.273009
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -7.461
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -12.847
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: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -155.843422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.843422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.843422 (E_RNA)
where:
Base-Base interactions energy: -87.032
where: short stacking energy: -50.782
Base-Backbone interact. energy: -0.020
local terms energy: -68.791188
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -86.298641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.298641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.298641 (E_RNA)
where:
Base-Base interactions energy: -34.774
where: short stacking energy: -29.118
Base-Backbone interact. energy: -0.814
local terms energy: -50.710165
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -8.380
flat angles P-C4'-P energy: -12.823
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: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -86.510920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.510920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.510920 (E_RNA)
where:
Base-Base interactions energy: -34.158
where: short stacking energy: -29.799
Base-Backbone interact. energy: -0.122
local terms energy: -52.231041
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -76.232580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.232580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.232580 (E_RNA)
where:
Base-Base interactions energy: -28.055
where: short stacking energy: -22.868
Base-Backbone interact. energy: -0.087
local terms energy: -48.090930
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -7.402
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -75.047581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.047581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.047581 (E_RNA)
where:
Base-Base interactions energy: -26.884
where: short stacking energy: -10.711
Base-Backbone interact. energy: 0.510
local terms energy: -48.673347
where:
bonds (distance) C4'-P energy: -8.522
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -212.776860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.776860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.776860 (E_RNA)
where:
Base-Base interactions energy: -148.497
where: short stacking energy: -58.287
Base-Backbone interact. energy: -0.485
local terms energy: -63.794270
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -220.665744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.665744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.665744 (E_RNA)
where:
Base-Base interactions energy: -144.920
where: short stacking energy: -64.390
Base-Backbone interact. energy: -0.001
local terms energy: -75.744810
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -206.487307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.487307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.487307 (E_RNA)
where:
Base-Base interactions energy: -141.331
where: short stacking energy: -44.098
Base-Backbone interact. energy: -0.074
local terms energy: -65.082827
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -174.854651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.854651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.854651 (E_RNA)
where:
Base-Base interactions energy: -104.166
where: short stacking energy: -50.994
Base-Backbone interact. energy: -0.084
local terms energy: -70.603982
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -14.905
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: 159
Temperature: 1.100000
Total energy: -159.430542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.430542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.430542 (E_RNA)
where:
Base-Base interactions energy: -95.316
where: short stacking energy: -43.835
Base-Backbone interact. energy: 1.200
local terms energy: -65.314621
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -151.684696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.684696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.684696 (E_RNA)
where:
Base-Base interactions energy: -95.064
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.015
local terms energy: -56.605794
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -84.488944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.488944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.488944 (E_RNA)
where:
Base-Base interactions energy: -27.936
where: short stacking energy: -27.936
Base-Backbone interact. energy: -0.062
local terms energy: -56.491236
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -83.895777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.895777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.895777 (E_RNA)
where:
Base-Base interactions energy: -39.223
where: short stacking energy: -33.052
Base-Backbone interact. energy: -0.756
local terms energy: -43.917036
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -3.935
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: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -74.729731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.729731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.729731 (E_RNA)
where:
Base-Base interactions energy: -25.189
where: short stacking energy: -25.189
Base-Backbone interact. energy: -1.106
local terms energy: -48.434652
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: 1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -74.253488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.253488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.253488 (E_RNA)
where:
Base-Base interactions energy: -31.780
where: short stacking energy: -25.276
Base-Backbone interact. energy: -0.341
local terms energy: -42.132346
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: 2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -236.116392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.116392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.116392 (E_RNA)
where:
Base-Base interactions energy: -161.005
where: short stacking energy: -71.913
Base-Backbone interact. energy: -0.106
local terms energy: -75.005718
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -205.913469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.913469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.913469 (E_RNA)
where:
Base-Base interactions energy: -139.581
where: short stacking energy: -53.772
Base-Backbone interact. energy: -1.117
local terms energy: -65.215549
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -9.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -215.349287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.349287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.349287 (E_RNA)
where:
Base-Base interactions energy: -147.885
where: short stacking energy: -53.114
Base-Backbone interact. energy: -0.560
local terms energy: -66.904802
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -178.391650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.391650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.391650 (E_RNA)
where:
Base-Base interactions energy: -111.719
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.808
local terms energy: -65.864347
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -145.286078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.286078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.286078 (E_RNA)
where:
Base-Base interactions energy: -81.506
where: short stacking energy: -49.150
Base-Backbone interact. energy: -0.060
local terms energy: -63.719495
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -150.627976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.627976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.627976 (E_RNA)
where:
Base-Base interactions energy: -92.115
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.123
local terms energy: -58.389837
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -83.979802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.979802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.979802 (E_RNA)
where:
Base-Base interactions energy: -27.733
where: short stacking energy: -27.733
Base-Backbone interact. energy: -0.003
local terms energy: -56.244342
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -12.567
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: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -86.915324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.915324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.915324 (E_RNA)
where:
Base-Base interactions energy: -33.956
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.192
local terms energy: -52.768123
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -4.783
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: 2
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -75.479729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.479729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.479729 (E_RNA)
where:
Base-Base interactions energy: -22.669
where: short stacking energy: -22.669
Base-Backbone interact. energy: -0.198
local terms energy: -52.612750
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -1.749
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: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -81.667347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.667347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.667347 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.040
local terms energy: -45.103748
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -227.128858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.128858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.128858 (E_RNA)
where:
Base-Base interactions energy: -148.713
where: short stacking energy: -75.457
Base-Backbone interact. energy: -0.001
local terms energy: -78.414861
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -210.919629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.919629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.919629 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -51.749
Base-Backbone interact. energy: -0.041
local terms energy: -64.478513
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -11.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -205.494810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.494810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.494810 (E_RNA)
where:
Base-Base interactions energy: -137.994
where: short stacking energy: -59.855
Base-Backbone interact. energy: -0.213
local terms energy: -67.287731
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -9.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -180.847484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.847484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.847484 (E_RNA)
where:
Base-Base interactions energy: -120.273
where: short stacking energy: -45.774
Base-Backbone interact. energy: 0.991
local terms energy: -61.565945
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -145.472666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.472666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.472666 (E_RNA)
where:
Base-Base interactions energy: -83.827
where: short stacking energy: -44.551
Base-Backbone interact. energy: -0.076
local terms energy: -61.570240
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -10.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -163.392042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.392042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.392042 (E_RNA)
where:
Base-Base interactions energy: -104.668
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.165
local terms energy: -58.559787
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -15.400
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: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -80.696439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.696439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.696439 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -30.172
Base-Backbone interact. energy: -0.268
local terms energy: -47.393803
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -79.973482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.973482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.973482 (E_RNA)
where:
Base-Base interactions energy: -35.133
where: short stacking energy: -30.140
Base-Backbone interact. energy: 0.346
local terms energy: -45.186838
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -7.120
flat angles P-C4'-P energy: -8.998
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: 161
Temperature: 1.300000
Total energy: -77.979083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.979083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.979083 (E_RNA)
where:
Base-Base interactions energy: -23.189
where: short stacking energy: -18.712
Base-Backbone interact. energy: -0.416
local terms energy: -54.374231
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -84.651108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.651108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.651108 (E_RNA)
where:
Base-Base interactions energy: -36.787
where: short stacking energy: -36.787
Base-Backbone interact. energy: 0.135
local terms energy: -47.999758
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -7.961
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -214.792634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.792634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.792634 (E_RNA)
where:
Base-Base interactions energy: -153.411
where: short stacking energy: -48.853
Base-Backbone interact. energy: -0.099
local terms energy: -61.283179
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -220.487463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.487463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.487463 (E_RNA)
where:
Base-Base interactions energy: -150.062
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.542
local terms energy: -69.884090
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -209.654139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.654139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.654139 (E_RNA)
where:
Base-Base interactions energy: -141.017
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.268
local terms energy: -68.369313
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -161.235611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.235611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.235611 (E_RNA)
where:
Base-Base interactions energy: -95.957
where: short stacking energy: -53.330
Base-Backbone interact. energy: -1.024
local terms energy: -64.253991
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -178.735731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.735731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.735731 (E_RNA)
where:
Base-Base interactions energy: -108.710
where: short stacking energy: -60.276
Base-Backbone interact. energy: -0.496
local terms energy: -69.529585
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -148.588395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.588395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.588395 (E_RNA)
where:
Base-Base interactions energy: -87.839
where: short stacking energy: -43.298
Base-Backbone interact. energy: -0.597
local terms energy: -60.151865
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.705
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: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -90.069095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.069095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.069095 (E_RNA)
where:
Base-Base interactions energy: -37.922
where: short stacking energy: -37.922
Base-Backbone interact. energy: -0.218
local terms energy: -51.928929
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -4.523
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: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -77.309748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.309748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.309748 (E_RNA)
where:
Base-Base interactions energy: -24.942
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.103
local terms energy: -52.264688
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -80.671011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.671011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.671011 (E_RNA)
where:
Base-Base interactions energy: -33.583
where: short stacking energy: -28.172
Base-Backbone interact. energy: -0.064
local terms energy: -47.023413
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -79.231890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.231890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.231890 (E_RNA)
where:
Base-Base interactions energy: -45.065
where: short stacking energy: -32.677
Base-Backbone interact. energy: -0.265
local terms energy: -33.902197
where:
bonds (distance) C4'-P energy: -8.190
bonds (distance) P-C4' energy: -8.952
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -5.256
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: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -219.817059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.817059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.817059 (E_RNA)
where:
Base-Base interactions energy: -153.411
where: short stacking energy: -48.834
Base-Backbone interact. energy: -0.632
local terms energy: -65.774226
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -221.304404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.304404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.304404 (E_RNA)
where:
Base-Base interactions energy: -148.090
where: short stacking energy: -69.490
Base-Backbone interact. energy: -1.385
local terms energy: -71.829965
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -11.985
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: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -223.332062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.332062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.332062 (E_RNA)
where:
Base-Base interactions energy: -145.512
where: short stacking energy: -67.919
Base-Backbone interact. energy: -0.008
local terms energy: -77.812100
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -21.039
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: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -186.740362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.740362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.740362 (E_RNA)
where:
Base-Base interactions energy: -114.913
where: short stacking energy: -63.762
Base-Backbone interact. energy: -0.260
local terms energy: -71.567734
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -166.628978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.628978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.628978 (E_RNA)
where:
Base-Base interactions energy: -102.561
where: short stacking energy: -64.304
Base-Backbone interact. energy: -0.020
local terms energy: -64.048785
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -125.659386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.659386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.659386 (E_RNA)
where:
Base-Base interactions energy: -72.916
where: short stacking energy: -49.498
Base-Backbone interact. energy: -0.015
local terms energy: -52.728356
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -138.105915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.105915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.105915 (E_RNA)
where:
Base-Base interactions energy: -81.700
where: short stacking energy: -39.502
Base-Backbone interact. energy: 0.305
local terms energy: -56.711495
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -7.600
flat angles P-C4'-P energy: -12.511
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: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -93.640781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.640781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.640781 (E_RNA)
where:
Base-Base interactions energy: -39.776
where: short stacking energy: -38.747
Base-Backbone interact. energy: -0.004
local terms energy: -53.860745
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -78.714660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.714660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.714660 (E_RNA)
where:
Base-Base interactions energy: -34.171
where: short stacking energy: -31.163
Base-Backbone interact. energy: -1.214
local terms energy: -43.329512
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -11.282
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: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -70.262682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.262682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.262682 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -26.736
Base-Backbone interact. energy: -0.073
local terms energy: -33.114017
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -0.850
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: 1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -224.323730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.323730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.323730 (E_RNA)
where:
Base-Base interactions energy: -157.194
where: short stacking energy: -58.737
Base-Backbone interact. energy: -0.842
local terms energy: -66.288172
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -212.903354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.903354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.903354 (E_RNA)
where:
Base-Base interactions energy: -140.840
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.004
local terms energy: -72.059426
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -20.586
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: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -213.408265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.408265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.408265 (E_RNA)
where:
Base-Base interactions energy: -139.327
where: short stacking energy: -61.226
Base-Backbone interact. energy: -0.347
local terms energy: -73.733714
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -178.653551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.653551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.653551 (E_RNA)
where:
Base-Base interactions energy: -107.154
where: short stacking energy: -63.711
Base-Backbone interact. energy: 3.392
local terms energy: -74.891426
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -154.139437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.139437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.139437 (E_RNA)
where:
Base-Base interactions energy: -81.468
where: short stacking energy: -53.346
Base-Backbone interact. energy: -0.345
local terms energy: -72.326105
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -94.029834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.029834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.029834 (E_RNA)
where:
Base-Base interactions energy: -48.690
where: short stacking energy: -25.092
Base-Backbone interact. energy: 0.643
local terms energy: -45.982873
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: 3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -150.023673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.023673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.023673 (E_RNA)
where:
Base-Base interactions energy: -86.979
where: short stacking energy: -41.924
Base-Backbone interact. energy: -0.333
local terms energy: -62.711769
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -9.731
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: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -100.609881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.609881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.609881 (E_RNA)
where:
Base-Base interactions energy: -58.606
where: short stacking energy: -34.614
Base-Backbone interact. energy: 0.833
local terms energy: -42.836807
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -4.035
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: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -89.344379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.344379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.344379 (E_RNA)
where:
Base-Base interactions energy: -42.614
where: short stacking energy: -37.995
Base-Backbone interact. energy: -0.095
local terms energy: -46.635017
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -71.445864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.445864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.445864 (E_RNA)
where:
Base-Base interactions energy: -19.620
where: short stacking energy: -17.777
Base-Backbone interact. energy: -0.299
local terms energy: -51.526560
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -11.831
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: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -212.067827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.067827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.067827 (E_RNA)
where:
Base-Base interactions energy: -140.229
where: short stacking energy: -55.772
Base-Backbone interact. energy: -1.791
local terms energy: -70.047628
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -223.311960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.311960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.311960 (E_RNA)
where:
Base-Base interactions energy: -145.108
where: short stacking energy: -65.737
Base-Backbone interact. energy: -0.003
local terms energy: -78.201542
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -209.260813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.260813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.260813 (E_RNA)
where:
Base-Base interactions energy: -141.745
where: short stacking energy: -60.011
Base-Backbone interact. energy: -0.968
local terms energy: -66.547580
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -179.746263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.746263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.746263 (E_RNA)
where:
Base-Base interactions energy: -112.670
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.510
local terms energy: -66.566502
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -170.971007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.971007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.971007 (E_RNA)
where:
Base-Base interactions energy: -105.788
where: short stacking energy: -51.472
Base-Backbone interact. energy: -0.920
local terms energy: -64.262774
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -153.667680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.667680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.667680 (E_RNA)
where:
Base-Base interactions energy: -100.211
where: short stacking energy: -46.028
Base-Backbone interact. energy: -0.329
local terms energy: -53.128146
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -92.519749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.519749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.519749 (E_RNA)
where:
Base-Base interactions energy: -38.880
where: short stacking energy: -35.662
Base-Backbone interact. energy: 0.528
local terms energy: -54.167675
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -84.369955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.369955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.369955 (E_RNA)
where:
Base-Base interactions energy: -36.950
where: short stacking energy: -36.950
Base-Backbone interact. energy: 2.188
local terms energy: -49.608222
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -84.679182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.679182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.679182 (E_RNA)
where:
Base-Base interactions energy: -33.640
where: short stacking energy: -31.884
Base-Backbone interact. energy: -0.118
local terms energy: -50.921395
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -11.693
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: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -76.600889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.600889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.600889 (E_RNA)
where:
Base-Base interactions energy: -24.854
where: short stacking energy: -22.008
Base-Backbone interact. energy: -0.061
local terms energy: -51.685099
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -226.123893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.123893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.123893 (E_RNA)
where:
Base-Base interactions energy: -150.576
where: short stacking energy: -77.306
Base-Backbone interact. energy: 3.544
local terms energy: -79.092349
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -12.170
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: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -222.110933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.110933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.110933 (E_RNA)
where:
Base-Base interactions energy: -145.297
where: short stacking energy: -57.962
Base-Backbone interact. energy: -0.082
local terms energy: -76.732625
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -213.281028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.281028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.281028 (E_RNA)
where:
Base-Base interactions energy: -134.416
where: short stacking energy: -67.710
Base-Backbone interact. energy: -0.348
local terms energy: -78.517387
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -12.711
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: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -171.799195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.799195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.799195 (E_RNA)
where:
Base-Base interactions energy: -105.487
where: short stacking energy: -49.279
Base-Backbone interact. energy: -0.506
local terms energy: -65.806503
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -154.091642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.091642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.091642 (E_RNA)
where:
Base-Base interactions energy: -88.790
where: short stacking energy: -48.027
Base-Backbone interact. energy: -0.028
local terms energy: -65.274119
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.537
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: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -142.191783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.191783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.191783 (E_RNA)
where:
Base-Base interactions energy: -83.216
where: short stacking energy: -50.056
Base-Backbone interact. energy: -0.299
local terms energy: -58.677198
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -92.672230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.672230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.672230 (E_RNA)
where:
Base-Base interactions energy: -34.896
where: short stacking energy: -34.896
Base-Backbone interact. energy: 0.785
local terms energy: -58.561229
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -10.387
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: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -111.630345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.630345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.630345 (E_RNA)
where:
Base-Base interactions energy: -65.537
where: short stacking energy: -46.302
Base-Backbone interact. energy: -0.172
local terms energy: -45.920546
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -6.596
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: 166
Temperature: 1.300000
Total energy: -89.638229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.638229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.638229 (E_RNA)
where:
Base-Base interactions energy: -32.195
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.105
local terms energy: -57.338000
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -78.769652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.769652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.769652 (E_RNA)
where:
Base-Base interactions energy: -34.888
where: short stacking energy: -21.534
Base-Backbone interact. energy: -0.310
local terms energy: -43.571318
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -7.256
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -205.326649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.326649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.326649 (E_RNA)
where:
Base-Base interactions energy: -139.306
where: short stacking energy: -70.471
Base-Backbone interact. energy: -0.017
local terms energy: -66.003488
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -17.378
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: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -219.244605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.244605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.244605 (E_RNA)
where:
Base-Base interactions energy: -145.046
where: short stacking energy: -66.402
Base-Backbone interact. energy: -0.002
local terms energy: -74.196577
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -18.030
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: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -219.801731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.801731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.801731 (E_RNA)
where:
Base-Base interactions energy: -150.811
where: short stacking energy: -52.997
Base-Backbone interact. energy: 0.285
local terms energy: -69.276221
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -169.143125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.143125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.143125 (E_RNA)
where:
Base-Base interactions energy: -104.593
where: short stacking energy: -59.345
Base-Backbone interact. energy: -1.115
local terms energy: -63.434988
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -166.669069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.669069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.669069 (E_RNA)
where:
Base-Base interactions energy: -98.889
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.308
local terms energy: -67.472147
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -139.323900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.323900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.323900 (E_RNA)
where:
Base-Base interactions energy: -82.229
where: short stacking energy: -42.144
Base-Backbone interact. energy: -0.482
local terms energy: -56.612961
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -96.509201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.509201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.509201 (E_RNA)
where:
Base-Base interactions energy: -35.710
where: short stacking energy: -30.080
Base-Backbone interact. energy: -0.215
local terms energy: -60.583834
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -91.717600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.717600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.717600 (E_RNA)
where:
Base-Base interactions energy: -41.839
where: short stacking energy: -32.839
Base-Backbone interact. energy: -0.080
local terms energy: -49.798523
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -5.327
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: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -87.526228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.526228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.526228 (E_RNA)
where:
Base-Base interactions energy: -26.431
where: short stacking energy: -26.431
Base-Backbone interact. energy: -0.271
local terms energy: -60.824199
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -82.471514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471514 (E_RNA)
where:
Base-Base interactions energy: -35.520
where: short stacking energy: -25.883
Base-Backbone interact. energy: -0.040
local terms energy: -46.911553
where:
bonds (distance) C4'-P energy: -7.297
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -211.833669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.833669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.833669 (E_RNA)
where:
Base-Base interactions energy: -143.670
where: short stacking energy: -62.411
Base-Backbone interact. energy: -0.569
local terms energy: -67.594183
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -206.169641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.169641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.169641 (E_RNA)
where:
Base-Base interactions energy: -131.573
where: short stacking energy: -61.073
Base-Backbone interact. energy: 0.631
local terms energy: -75.227725
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -219.100645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.100645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.100645 (E_RNA)
where:
Base-Base interactions energy: -148.373
where: short stacking energy: -50.862
Base-Backbone interact. energy: -1.861
local terms energy: -68.867382
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -189.370098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.370098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.370098 (E_RNA)
where:
Base-Base interactions energy: -119.445
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.427
local terms energy: -69.498268
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -165.516412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.516412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.516412 (E_RNA)
where:
Base-Base interactions energy: -108.792
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.924
local terms energy: -55.800778
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -162.759070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.759070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.759070 (E_RNA)
where:
Base-Base interactions energy: -93.864
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.343
local terms energy: -68.552277
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -11.584
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: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -92.465584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.465584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.465584 (E_RNA)
where:
Base-Base interactions energy: -37.308
where: short stacking energy: -31.208
Base-Backbone interact. energy: -0.198
local terms energy: -54.959864
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -82.745159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.745159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.745159 (E_RNA)
where:
Base-Base interactions energy: -30.571
where: short stacking energy: -25.321
Base-Backbone interact. energy: -0.213
local terms energy: -51.961900
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -3.718
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: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -89.196991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.196991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.196991 (E_RNA)
where:
Base-Base interactions energy: -37.043
where: short stacking energy: -37.043
Base-Backbone interact. energy: -0.215
local terms energy: -51.938991
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -8.422
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: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -73.751354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.751354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.751354 (E_RNA)
where:
Base-Base interactions energy: -26.746
where: short stacking energy: -27.386
Base-Backbone interact. energy: -0.448
local terms energy: -46.557712
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -2.115
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -217.296368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.296368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.296368 (E_RNA)
where:
Base-Base interactions energy: -144.892
where: short stacking energy: -60.263
Base-Backbone interact. energy: -0.089
local terms energy: -72.315230
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -218.097411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.097411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.097411 (E_RNA)
where:
Base-Base interactions energy: -140.756
where: short stacking energy: -66.462
Base-Backbone interact. energy: -0.543
local terms energy: -76.798311
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -205.233674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.233674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.233674 (E_RNA)
where:
Base-Base interactions energy: -143.612
where: short stacking energy: -58.615
Base-Backbone interact. energy: -0.688
local terms energy: -60.933559
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -178.878554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.878554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.878554 (E_RNA)
where:
Base-Base interactions energy: -108.694
where: short stacking energy: -59.054
Base-Backbone interact. energy: -1.123
local terms energy: -69.061396
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -154.539558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.539558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.539558 (E_RNA)
where:
Base-Base interactions energy: -97.519
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.149
local terms energy: -56.871520
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -169.206389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.206389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.206389 (E_RNA)
where:
Base-Base interactions energy: -100.975
where: short stacking energy: -52.617
Base-Backbone interact. energy: -0.687
local terms energy: -67.544431
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -15.852
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: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -88.637675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.637675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.637675 (E_RNA)
where:
Base-Base interactions energy: -30.037
where: short stacking energy: -31.836
Base-Backbone interact. energy: -0.703
local terms energy: -57.897946
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -88.527060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.527060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.527060 (E_RNA)
where:
Base-Base interactions energy: -42.753
where: short stacking energy: -42.753
Base-Backbone interact. energy: -0.433
local terms energy: -45.341685
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -1.408
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -80.601601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.601601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.601601 (E_RNA)
where:
Base-Base interactions energy: -29.591
where: short stacking energy: -21.177
Base-Backbone interact. energy: -0.110
local terms energy: -50.899963
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -80.116078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.116078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.116078 (E_RNA)
where:
Base-Base interactions energy: -26.991
where: short stacking energy: -23.926
Base-Backbone interact. energy: 1.799
local terms energy: -54.924015
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -228.368689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.368689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.368689 (E_RNA)
where:
Base-Base interactions energy: -149.887
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.011
local terms energy: -78.470441
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -22.457
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: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -213.847162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.847162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.847162 (E_RNA)
where:
Base-Base interactions energy: -144.225
where: short stacking energy: -57.255
Base-Backbone interact. energy: -0.091
local terms energy: -69.530916
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -211.672022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.672022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.672022 (E_RNA)
where:
Base-Base interactions energy: -132.108
where: short stacking energy: -43.851
Base-Backbone interact. energy: -2.789
local terms energy: -76.775050
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -12.540
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: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -187.434522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.434522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.434522 (E_RNA)
where:
Base-Base interactions energy: -112.430
where: short stacking energy: -58.473
Base-Backbone interact. energy: -0.229
local terms energy: -74.775242
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -188.479457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.479457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.479457 (E_RNA)
where:
Base-Base interactions energy: -122.446
where: short stacking energy: -69.154
Base-Backbone interact. energy: 0.491
local terms energy: -66.524607
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -153.416490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.416490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.416490 (E_RNA)
where:
Base-Base interactions energy: -85.866
where: short stacking energy: -49.935
Base-Backbone interact. energy: -1.567
local terms energy: -65.983794
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -11.611
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: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -113.660119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.660119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.660119 (E_RNA)
where:
Base-Base interactions energy: -51.954
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.007
local terms energy: -61.699783
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -100.132406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.132406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.132406 (E_RNA)
where:
Base-Base interactions energy: -48.314
where: short stacking energy: -35.367
Base-Backbone interact. energy: 0.162
local terms energy: -51.980455
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -5.663
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: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -91.017078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.017078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.017078 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -34.136
Base-Backbone interact. energy: 0.346
local terms energy: -56.221711
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -10.445
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: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -74.759882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.759882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.759882 (E_RNA)
where:
Base-Base interactions energy: -22.718
where: short stacking energy: -21.328
Base-Backbone interact. energy: 0.798
local terms energy: -52.840116
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -9.133
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: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -226.402741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.402741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.402741 (E_RNA)
where:
Base-Base interactions energy: -147.451
where: short stacking energy: -70.651
Base-Backbone interact. energy: -0.229
local terms energy: -78.722708
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -217.688493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.688493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.688493 (E_RNA)
where:
Base-Base interactions energy: -151.517
where: short stacking energy: -59.035
Base-Backbone interact. energy: -0.892
local terms energy: -65.279905
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -8.316
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: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -210.364623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.364623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.364623 (E_RNA)
where:
Base-Base interactions energy: -144.751
where: short stacking energy: -51.929
Base-Backbone interact. energy: -2.583
local terms energy: -63.031175
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -10.272
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: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -186.057050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.057050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.057050 (E_RNA)
where:
Base-Base interactions energy: -119.734
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.139
local terms energy: -66.184409
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -178.051714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.051714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.051714 (E_RNA)
where:
Base-Base interactions energy: -114.971
where: short stacking energy: -56.334
Base-Backbone interact. energy: -0.089
local terms energy: -62.991643
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -156.735524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.735524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.735524 (E_RNA)
where:
Base-Base interactions energy: -109.150
where: short stacking energy: -58.461
Base-Backbone interact. energy: -0.873
local terms energy: -46.712741
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -11.521
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: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -91.717417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.717417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.717417 (E_RNA)
where:
Base-Base interactions energy: -37.147
where: short stacking energy: -32.624
Base-Backbone interact. energy: -0.262
local terms energy: -54.307785
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -4.403
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: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -91.097365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.097365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.097365 (E_RNA)
where:
Base-Base interactions energy: -33.048
where: short stacking energy: -33.048
Base-Backbone interact. energy: -0.081
local terms energy: -57.968807
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -4.867
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: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -86.241437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.241437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.241437 (E_RNA)
where:
Base-Base interactions energy: -39.905
where: short stacking energy: -29.332
Base-Backbone interact. energy: -0.013
local terms energy: -46.322593
where:
bonds (distance) C4'-P energy: -6.539
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -0.640
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: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -84.719733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.719733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.719733 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -18.061
Base-Backbone interact. energy: -1.384
local terms energy: -49.371351
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -7.657
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: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -219.967066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.967066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.967066 (E_RNA)
where:
Base-Base interactions energy: -151.010
where: short stacking energy: -62.992
Base-Backbone interact. energy: -0.206
local terms energy: -68.750765
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -219.268290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.268290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.268290 (E_RNA)
where:
Base-Base interactions energy: -146.792
where: short stacking energy: -53.550
Base-Backbone interact. energy: -1.189
local terms energy: -71.286653
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -18.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -207.619530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.619530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.619530 (E_RNA)
where:
Base-Base interactions energy: -142.491
where: short stacking energy: -58.341
Base-Backbone interact. energy: -0.012
local terms energy: -65.116180
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.352
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: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -190.697849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.697849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.697849 (E_RNA)
where:
Base-Base interactions energy: -118.218
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.155
local terms energy: -72.325436
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -165.164968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.164968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.164968 (E_RNA)
where:
Base-Base interactions energy: -101.432
where: short stacking energy: -44.134
Base-Backbone interact. energy: 1.607
local terms energy: -65.340071
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -156.248124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.248124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.248124 (E_RNA)
where:
Base-Base interactions energy: -85.789
where: short stacking energy: -45.166
Base-Backbone interact. energy: -0.896
local terms energy: -69.563377
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -92.357191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.357191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.357191 (E_RNA)
where:
Base-Base interactions energy: -44.524
where: short stacking energy: -35.082
Base-Backbone interact. energy: 1.451
local terms energy: -49.284406
where:
bonds (distance) C4'-P energy: -7.645
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -5.482
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: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -89.110874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.110874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.110874 (E_RNA)
where:
Base-Base interactions energy: -32.330
where: short stacking energy: -29.922
Base-Backbone interact. energy: -0.063
local terms energy: -56.717465
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -82.976433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.976433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.976433 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -18.321
Base-Backbone interact. energy: -0.051
local terms energy: -45.235355
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: 3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -83.796508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.796508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.796508 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -28.342
Base-Backbone interact. energy: -0.622
local terms energy: -47.010362
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -4.715
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: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -224.406315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.406315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.406315 (E_RNA)
where:
Base-Base interactions energy: -149.387
where: short stacking energy: -67.228
Base-Backbone interact. energy: -0.486
local terms energy: -74.533377
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.569
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: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -219.266362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.266362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.266362 (E_RNA)
where:
Base-Base interactions energy: -142.476
where: short stacking energy: -70.736
Base-Backbone interact. energy: -0.367
local terms energy: -76.423031
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -21.154
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: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -213.943387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.943387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.943387 (E_RNA)
where:
Base-Base interactions energy: -139.715
where: short stacking energy: -68.945
Base-Backbone interact. energy: -0.008
local terms energy: -74.220117
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -187.862300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.862300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.862300 (E_RNA)
where:
Base-Base interactions energy: -113.351
where: short stacking energy: -67.528
Base-Backbone interact. energy: -0.297
local terms energy: -74.214278
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -164.155043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.155043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.155043 (E_RNA)
where:
Base-Base interactions energy: -103.435
where: short stacking energy: -50.337
Base-Backbone interact. energy: -0.641
local terms energy: -60.078817
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -98.459058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.459058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.459058 (E_RNA)
where:
Base-Base interactions energy: -37.673
where: short stacking energy: -36.541
Base-Backbone interact. energy: -0.118
local terms energy: -60.668079
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -5.356
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: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -156.251505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.251505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.251505 (E_RNA)
where:
Base-Base interactions energy: -94.309
where: short stacking energy: -47.942
Base-Backbone interact. energy: -0.007
local terms energy: -61.935791
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -81.321455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.321455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.321455 (E_RNA)
where:
Base-Base interactions energy: -28.681
where: short stacking energy: -25.889
Base-Backbone interact. energy: 0.846
local terms energy: -53.486665
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -98.894748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.894748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.894748 (E_RNA)
where:
Base-Base interactions energy: -41.248
where: short stacking energy: -30.060
Base-Backbone interact. energy: -0.288
local terms energy: -57.358721
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -10.332
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: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -76.608032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.608032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.608032 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -17.841
Base-Backbone interact. energy: -0.220
local terms energy: -46.196258
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -220.900960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.900960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.900960 (E_RNA)
where:
Base-Base interactions energy: -146.202
where: short stacking energy: -65.347
Base-Backbone interact. energy: -1.326
local terms energy: -73.372699
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -9.602
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: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -214.641917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.641917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.641917 (E_RNA)
where:
Base-Base interactions energy: -155.610
where: short stacking energy: -65.139
Base-Backbone interact. energy: -0.014
local terms energy: -59.018540
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -213.725411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.725411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.725411 (E_RNA)
where:
Base-Base interactions energy: -138.366
where: short stacking energy: -69.807
Base-Backbone interact. energy: -0.508
local terms energy: -74.851250
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -179.655926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.655926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.655926 (E_RNA)
where:
Base-Base interactions energy: -108.845
where: short stacking energy: -45.004
Base-Backbone interact. energy: 0.326
local terms energy: -71.136863
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -155.607453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.607453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.607453 (E_RNA)
where:
Base-Base interactions energy: -91.451
where: short stacking energy: -47.041
Base-Backbone interact. energy: -0.577
local terms energy: -63.579481
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -109.077409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.077409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.077409 (E_RNA)
where:
Base-Base interactions energy: -55.463
where: short stacking energy: -26.293
Base-Backbone interact. energy: -0.379
local terms energy: -53.235653
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -89.856977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.856977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.856977 (E_RNA)
where:
Base-Base interactions energy: -31.332
where: short stacking energy: -29.615
Base-Backbone interact. energy: 0.236
local terms energy: -58.760281
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -8.585
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: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -152.504713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.504713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.504713 (E_RNA)
where:
Base-Base interactions energy: -86.186
where: short stacking energy: -48.061
Base-Backbone interact. energy: -0.689
local terms energy: -65.629459
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -15.610
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: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -80.721464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.721464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.721464 (E_RNA)
where:
Base-Base interactions energy: -31.396
where: short stacking energy: -21.531
Base-Backbone interact. energy: 0.037
local terms energy: -49.362312
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -11.065
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.962
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: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -94.448768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.448768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.448768 (E_RNA)
where:
Base-Base interactions energy: -42.326
where: short stacking energy: -38.863
Base-Backbone interact. energy: -0.017
local terms energy: -52.105271
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -8.762
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: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -231.123064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.123064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.123064 (E_RNA)
where:
Base-Base interactions energy: -150.939
where: short stacking energy: -73.398
Base-Backbone interact. energy: -0.063
local terms energy: -80.121685
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -220.075518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.075518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.075518 (E_RNA)
where:
Base-Base interactions energy: -142.852
where: short stacking energy: -72.179
Base-Backbone interact. energy: -0.013
local terms energy: -77.210749
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -217.593543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.593543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.593543 (E_RNA)
where:
Base-Base interactions energy: -139.243
where: short stacking energy: -66.377
Base-Backbone interact. energy: -0.613
local terms energy: -77.736733
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -169.738381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.738381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.738381 (E_RNA)
where:
Base-Base interactions energy: -100.372
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.010
local terms energy: -69.356062
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -146.921902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.921902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.921902 (E_RNA)
where:
Base-Base interactions energy: -93.569
where: short stacking energy: -39.750
Base-Backbone interact. energy: -0.483
local terms energy: -52.869797
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -6.820
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: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -95.861068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.861068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.861068 (E_RNA)
where:
Base-Base interactions energy: -33.871
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.107
local terms energy: -61.882915
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -89.023630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.023630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.023630 (E_RNA)
where:
Base-Base interactions energy: -46.365
where: short stacking energy: -26.335
Base-Backbone interact. energy: -1.406
local terms energy: -41.253097
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: 2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -133.466327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.466327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.466327 (E_RNA)
where:
Base-Base interactions energy: -79.772
where: short stacking energy: -36.729
Base-Backbone interact. energy: -0.223
local terms energy: -53.471084
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -78.433689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.433689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.433689 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.688
local terms energy: -47.714351
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: 0.156
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: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -70.240059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.240059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.240059 (E_RNA)
where:
Base-Base interactions energy: -20.859
where: short stacking energy: -18.166
Base-Backbone interact. energy: -0.101
local terms energy: -49.279900
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -223.726874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.726874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.726874 (E_RNA)
where:
Base-Base interactions energy: -148.593
where: short stacking energy: -73.915
Base-Backbone interact. energy: -0.013
local terms energy: -75.120647
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -20.813
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: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -225.286083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.286083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.286083 (E_RNA)
where:
Base-Base interactions energy: -147.651
where: short stacking energy: -71.566
Base-Backbone interact. energy: -0.004
local terms energy: -77.630623
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -22.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -219.326682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.326682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.326682 (E_RNA)
where:
Base-Base interactions energy: -145.306
where: short stacking energy: -68.656
Base-Backbone interact. energy: -2.363
local terms energy: -71.657358
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -176.491951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.491951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.491951 (E_RNA)
where:
Base-Base interactions energy: -106.970
where: short stacking energy: -50.924
Base-Backbone interact. energy: -1.032
local terms energy: -68.489482
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -155.316159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.316159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.316159 (E_RNA)
where:
Base-Base interactions energy: -94.809
where: short stacking energy: -51.695
Base-Backbone interact. energy: -0.055
local terms energy: -60.451239
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -99.105655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.105655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.105655 (E_RNA)
where:
Base-Base interactions energy: -54.334
where: short stacking energy: -34.586
Base-Backbone interact. energy: 1.451
local terms energy: -46.222782
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -1.815
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: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -138.275149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.275149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.275149 (E_RNA)
where:
Base-Base interactions energy: -85.584
where: short stacking energy: -41.942
Base-Backbone interact. energy: -0.795
local terms energy: -51.896767
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -78.883383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.883383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.883383 (E_RNA)
where:
Base-Base interactions energy: -34.544
where: short stacking energy: -31.829
Base-Backbone interact. energy: -0.227
local terms energy: -44.112694
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -90.450777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.450777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.450777 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -31.381
Base-Backbone interact. energy: 0.155
local terms energy: -48.899989
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -81.375020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.375020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.375020 (E_RNA)
where:
Base-Base interactions energy: -23.806
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.344
local terms energy: -57.225456
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -223.583476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.583476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.583476 (E_RNA)
where:
Base-Base interactions energy: -143.023
where: short stacking energy: -67.270
Base-Backbone interact. energy: -1.008
local terms energy: -79.552636
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -12.981
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: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -219.814614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.814614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.814614 (E_RNA)
where:
Base-Base interactions energy: -138.532
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.998
local terms energy: -80.284026
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -221.403501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.403501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.403501 (E_RNA)
where:
Base-Base interactions energy: -140.703
where: short stacking energy: -57.305
Base-Backbone interact. energy: -1.355
local terms energy: -79.345424
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -174.682722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.682722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.682722 (E_RNA)
where:
Base-Base interactions energy: -108.356
where: short stacking energy: -62.037
Base-Backbone interact. energy: -0.385
local terms energy: -65.942327
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -157.698785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.698785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.698785 (E_RNA)
where:
Base-Base interactions energy: -104.018
where: short stacking energy: -49.129
Base-Backbone interact. energy: -0.713
local terms energy: -52.967909
where:
bonds (distance) C4'-P energy: -7.517
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -107.469917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.469917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.469917 (E_RNA)
where:
Base-Base interactions energy: -48.722
where: short stacking energy: -46.692
Base-Backbone interact. energy: -0.100
local terms energy: -58.647320
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -89.463322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.463322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.463322 (E_RNA)
where:
Base-Base interactions energy: -47.001
where: short stacking energy: -30.261
Base-Backbone interact. energy: -0.538
local terms energy: -41.924716
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -6.348
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -94.593738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.593738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.593738 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -39.193
Base-Backbone interact. energy: -0.511
local terms energy: -51.564399
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -84.541271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.541271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.541271 (E_RNA)
where:
Base-Base interactions energy: -38.868
where: short stacking energy: -24.610
Base-Backbone interact. energy: -1.057
local terms energy: -44.616122
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -7.822
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -72.165962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.165962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.165962 (E_RNA)
where:
Base-Base interactions energy: -25.836
where: short stacking energy: -25.836
Base-Backbone interact. energy: -0.191
local terms energy: -46.139294
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -218.986200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.986200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.986200 (E_RNA)
where:
Base-Base interactions energy: -144.184
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.002
local terms energy: -74.800171
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -21.406
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: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -222.524671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.524671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.524671 (E_RNA)
where:
Base-Base interactions energy: -145.611
where: short stacking energy: -70.071
Base-Backbone interact. energy: -0.002
local terms energy: -76.911171
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -22.048
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: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -201.103330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.103330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.103330 (E_RNA)
where:
Base-Base interactions energy: -133.477
where: short stacking energy: -54.748
Base-Backbone interact. energy: -0.786
local terms energy: -66.840882
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -177.812436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.812436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.812436 (E_RNA)
where:
Base-Base interactions energy: -118.611
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.844
local terms energy: -58.357696
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -12.799
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: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -157.302642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.302642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.302642 (E_RNA)
where:
Base-Base interactions energy: -95.642
where: short stacking energy: -48.220
Base-Backbone interact. energy: -0.590
local terms energy: -61.070908
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -11.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -96.507648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.507648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.507648 (E_RNA)
where:
Base-Base interactions energy: -38.620
where: short stacking energy: -32.907
Base-Backbone interact. energy: -0.211
local terms energy: -57.676224
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -94.760731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.760731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.760731 (E_RNA)
where:
Base-Base interactions energy: -47.947
where: short stacking energy: -23.500
Base-Backbone interact. energy: -0.093
local terms energy: -46.721330
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -1.548
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -87.268843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.268843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.268843 (E_RNA)
where:
Base-Base interactions energy: -41.327
where: short stacking energy: -16.877
Base-Backbone interact. energy: 0.845
local terms energy: -46.787332
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -86.750028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.750028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.750028 (E_RNA)
where:
Base-Base interactions energy: -46.158
where: short stacking energy: -25.224
Base-Backbone interact. energy: -0.511
local terms energy: -40.080441
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -3.024
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -0.778
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: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -75.754129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.754129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.754129 (E_RNA)
where:
Base-Base interactions energy: -25.702
where: short stacking energy: -25.702
Base-Backbone interact. energy: -0.374
local terms energy: -49.677613
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: 0.924
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: 179
Temperature: 0.900000
Total energy: -226.498956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.498956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.498956 (E_RNA)
where:
Base-Base interactions energy: -145.140
where: short stacking energy: -65.274
Base-Backbone interact. energy: 0.575
local terms energy: -81.933863
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -216.144808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.144808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.144808 (E_RNA)
where:
Base-Base interactions energy: -137.600
where: short stacking energy: -58.664
Base-Backbone interact. energy: 1.870
local terms energy: -80.415249
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -197.271252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.271252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.271252 (E_RNA)
where:
Base-Base interactions energy: -130.852
where: short stacking energy: -58.434
Base-Backbone interact. energy: 0.370
local terms energy: -66.789381
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -179.188877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.188877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.188877 (E_RNA)
where:
Base-Base interactions energy: -116.918
where: short stacking energy: -59.908
Base-Backbone interact. energy: -0.541
local terms energy: -61.729595
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -6.575
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -169.465123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.465123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.465123 (E_RNA)
where:
Base-Base interactions energy: -102.671
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.037
local terms energy: -66.757449
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -93.829338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.829338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.829338 (E_RNA)
where:
Base-Base interactions energy: -42.358
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.184
local terms energy: -51.287301
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -93.796971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.796971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.796971 (E_RNA)
where:
Base-Base interactions energy: -39.794
where: short stacking energy: -39.794
Base-Backbone interact. energy: -0.282
local terms energy: -53.720317
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -90.415737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.415737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.415737 (E_RNA)
where:
Base-Base interactions energy: -36.617
where: short stacking energy: -35.664
Base-Backbone interact. energy: -0.157
local terms energy: -53.641594
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -105.946674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.946674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.946674 (E_RNA)
where:
Base-Base interactions energy: -37.185
where: short stacking energy: -36.062
Base-Backbone interact. energy: -0.097
local terms energy: -68.664550
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -12.451
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: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -80.048654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.048654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.048654 (E_RNA)
where:
Base-Base interactions energy: -32.464
where: short stacking energy: -27.097
Base-Backbone interact. energy: 1.965
local terms energy: -49.549812
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -3.363
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: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -225.989176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.989176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.989176 (E_RNA)
where:
Base-Base interactions energy: -144.226
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.363
local terms energy: -81.400302
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -23.262
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: 180
Temperature: 0.950000
Total energy: -219.953472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.953472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.953472 (E_RNA)
where:
Base-Base interactions energy: -147.640
where: short stacking energy: -62.855
Base-Backbone interact. energy: -0.002
local terms energy: -72.311646
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -199.195933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.195933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.195933 (E_RNA)
where:
Base-Base interactions energy: -132.361
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.441
local terms energy: -66.394298
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -12.059
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: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -184.370385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.370385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.370385 (E_RNA)
where:
Base-Base interactions energy: -119.601
where: short stacking energy: -56.255
Base-Backbone interact. energy: -0.955
local terms energy: -63.813726
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -15.684
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: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -161.125168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.125168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.125168 (E_RNA)
where:
Base-Base interactions energy: -95.271
where: short stacking energy: -54.087
Base-Backbone interact. energy: -0.100
local terms energy: -65.754059
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -7.369
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: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -99.932344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.932344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.932344 (E_RNA)
where:
Base-Base interactions energy: -48.811
where: short stacking energy: -45.364
Base-Backbone interact. energy: -0.089
local terms energy: -51.032524
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -90.576381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.576381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.576381 (E_RNA)
where:
Base-Base interactions energy: -38.959
where: short stacking energy: -31.660
Base-Backbone interact. energy: -0.004
local terms energy: -51.613634
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -81.235883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.235883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.235883 (E_RNA)
where:
Base-Base interactions energy: -24.508
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.057
local terms energy: -56.670813
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -88.266973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.266973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.266973 (E_RNA)
where:
Base-Base interactions energy: -41.679
where: short stacking energy: -39.887
Base-Backbone interact. energy: -0.050
local terms energy: -46.537546
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -6.143
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -80.721632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.721632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.721632 (E_RNA)
where:
Base-Base interactions energy: -41.029
where: short stacking energy: -21.710
Base-Backbone interact. energy: -0.008
local terms energy: -39.684496
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: 0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -224.990070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.990070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.990070 (E_RNA)
where:
Base-Base interactions energy: -151.040
where: short stacking energy: -73.103
Base-Backbone interact. energy: -0.092
local terms energy: -73.857942
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -12.290
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: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -213.465684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.465684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.465684 (E_RNA)
where:
Base-Base interactions energy: -141.479
where: short stacking energy: -55.575
Base-Backbone interact. energy: -0.161
local terms energy: -71.826208
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -212.264666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.264666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.264666 (E_RNA)
where:
Base-Base interactions energy: -145.460
where: short stacking energy: -51.825
Base-Backbone interact. energy: -0.635
local terms energy: -66.169741
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -197.932925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.932925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.932925 (E_RNA)
where:
Base-Base interactions energy: -133.052
where: short stacking energy: -55.544
Base-Backbone interact. energy: -0.629
local terms energy: -64.252225
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -151.882612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.882612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.882612 (E_RNA)
where:
Base-Base interactions energy: -93.152
where: short stacking energy: -51.279
Base-Backbone interact. energy: -0.100
local terms energy: -58.631166
where:
bonds (distance) C4'-P energy: -7.922
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -94.268342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.268342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.268342 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -35.508
Base-Backbone interact. energy: -0.139
local terms energy: -58.620975
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -9.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -91.294252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.294252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.294252 (E_RNA)
where:
Base-Base interactions energy: -35.674
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.413
local terms energy: -55.206792
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -2.383
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: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -95.317681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.317681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.317681 (E_RNA)
where:
Base-Base interactions energy: -42.151
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.812
local terms energy: -52.354865
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -89.926080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926080 (E_RNA)
where:
Base-Base interactions energy: -33.962
where: short stacking energy: -33.962
Base-Backbone interact. energy: -0.207
local terms energy: -55.757791
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -9.481
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: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -85.345801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.345801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.345801 (E_RNA)
where:
Base-Base interactions energy: -28.728
where: short stacking energy: -28.728
Base-Backbone interact. energy: -0.218
local terms energy: -56.399227
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -224.102212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.102212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.102212 (E_RNA)
where:
Base-Base interactions energy: -149.887
where: short stacking energy: -67.742
Base-Backbone interact. energy: 0.976
local terms energy: -75.191576
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -226.721670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.721670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.721670 (E_RNA)
where:
Base-Base interactions energy: -149.939
where: short stacking energy: -71.808
Base-Backbone interact. energy: -1.362
local terms energy: -75.420684
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -12.239
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: 3, replica: 7
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -199.073700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.073700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.073700 (E_RNA)
where:
Base-Base interactions energy: -129.918
where: short stacking energy: -58.651
Base-Backbone interact. energy: -0.216
local terms energy: -68.939593
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -205.347512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.347512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.347512 (E_RNA)
where:
Base-Base interactions energy: -131.165
where: short stacking energy: -53.009
Base-Backbone interact. energy: -0.964
local terms energy: -73.218731
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -161.867639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.867639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.867639 (E_RNA)
where:
Base-Base interactions energy: -103.718
where: short stacking energy: -53.622
Base-Backbone interact. energy: -0.146
local terms energy: -58.003608
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -10.406
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -102.803126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.803126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.803126 (E_RNA)
where:
Base-Base interactions energy: -45.550
where: short stacking energy: -27.929
Base-Backbone interact. energy: -0.595
local terms energy: -56.658420
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -10.960
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: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -101.035005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.035005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.035005 (E_RNA)
where:
Base-Base interactions energy: -50.893
where: short stacking energy: -24.021
Base-Backbone interact. energy: -1.079
local terms energy: -49.063225
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -3.481
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: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -83.058530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.058530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.058530 (E_RNA)
where:
Base-Base interactions energy: -29.782
where: short stacking energy: -29.782
Base-Backbone interact. energy: -0.073
local terms energy: -53.204222
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -2.234
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: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -88.263923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.263923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.263923 (E_RNA)
where:
Base-Base interactions energy: -44.141
where: short stacking energy: -24.951
Base-Backbone interact. energy: 1.062
local terms energy: -45.184957
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: 1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -83.740941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.740941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.740941 (E_RNA)
where:
Base-Base interactions energy: -26.274
where: short stacking energy: -23.776
Base-Backbone interact. energy: -0.313
local terms energy: -57.152958
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -227.837664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.837664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.837664 (E_RNA)
where:
Base-Base interactions energy: -151.651
where: short stacking energy: -68.553
Base-Backbone interact. energy: -0.006
local terms energy: -76.181108
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -224.227454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.227454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.227454 (E_RNA)
where:
Base-Base interactions energy: -148.216
where: short stacking energy: -69.628
Base-Backbone interact. energy: -1.047
local terms energy: -74.965100
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -171.652825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.652825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.652825 (E_RNA)
where:
Base-Base interactions energy: -103.738
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.094
local terms energy: -67.820996
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -204.380255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.380255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.380255 (E_RNA)
where:
Base-Base interactions energy: -140.703
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.409
local terms energy: -63.268043
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -18.064
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: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -163.720144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.720144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.720144 (E_RNA)
where:
Base-Base interactions energy: -94.293
where: short stacking energy: -55.616
Base-Backbone interact. energy: -0.523
local terms energy: -68.904566
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -147.101209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.101209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.101209 (E_RNA)
where:
Base-Base interactions energy: -82.293
where: short stacking energy: -46.813
Base-Backbone interact. energy: -0.717
local terms energy: -64.091418
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -98.702839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702839 (E_RNA)
where:
Base-Base interactions energy: -41.485
where: short stacking energy: -37.277
Base-Backbone interact. energy: 0.061
local terms energy: -57.278795
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -85.808555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.808555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.808555 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -35.491
Base-Backbone interact. energy: -0.012
local terms energy: -50.211118
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -6.577
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: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -77.282744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.282744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.282744 (E_RNA)
where:
Base-Base interactions energy: -27.779
where: short stacking energy: -27.779
Base-Backbone interact. energy: -0.151
local terms energy: -49.352794
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -88.620331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.620331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.620331 (E_RNA)
where:
Base-Base interactions energy: -50.129
where: short stacking energy: -31.414
Base-Backbone interact. energy: -0.119
local terms energy: -38.372537
where:
bonds (distance) C4'-P energy: -6.117
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -4.554
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: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -220.587496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.587496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.587496 (E_RNA)
where:
Base-Base interactions energy: -148.950
where: short stacking energy: -56.256
Base-Backbone interact. energy: -0.353
local terms energy: -71.284641
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -11.058
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: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -213.299359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.299359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.299359 (E_RNA)
where:
Base-Base interactions energy: -140.284
where: short stacking energy: -56.936
Base-Backbone interact. energy: -1.620
local terms energy: -71.395938
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -206.981173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.981173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.981173 (E_RNA)
where:
Base-Base interactions energy: -141.762
where: short stacking energy: -50.797
Base-Backbone interact. energy: -0.174
local terms energy: -65.045313
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.494
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: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -179.800400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.800400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.800400 (E_RNA)
where:
Base-Base interactions energy: -107.779
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.071
local terms energy: -71.950615
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -168.429030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.429030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.429030 (E_RNA)
where:
Base-Base interactions energy: -102.730
where: short stacking energy: -41.296
Base-Backbone interact. energy: -1.222
local terms energy: -64.477307
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -7.685
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: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -162.905996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.905996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.905996 (E_RNA)
where:
Base-Base interactions energy: -96.930
where: short stacking energy: -49.226
Base-Backbone interact. energy: -0.335
local terms energy: -65.640840
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -9.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -109.536164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.536164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.536164 (E_RNA)
where:
Base-Base interactions energy: -51.857
where: short stacking energy: -38.919
Base-Backbone interact. energy: -0.144
local terms energy: -57.534626
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -10.864
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: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -88.280322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.280322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.280322 (E_RNA)
where:
Base-Base interactions energy: -37.281
where: short stacking energy: -24.807
Base-Backbone interact. energy: -0.276
local terms energy: -50.723256
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: 2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -80.029125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.029125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.029125 (E_RNA)
where:
Base-Base interactions energy: -26.937
where: short stacking energy: -26.007
Base-Backbone interact. energy: -0.103
local terms energy: -52.990006
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -2.681
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: 184
Temperature: 1.350000
Total energy: -86.126206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.126206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.126206 (E_RNA)
where:
Base-Base interactions energy: -31.811
where: short stacking energy: -31.811
Base-Backbone interact. energy: -0.143
local terms energy: -54.172331
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -8.269
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -219.040640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.040640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.040640 (E_RNA)
where:
Base-Base interactions energy: -150.026
where: short stacking energy: -60.834
Base-Backbone interact. energy: -0.490
local terms energy: -68.523993
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -227.739496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.739496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.739496 (E_RNA)
where:
Base-Base interactions energy: -145.930
where: short stacking energy: -68.861
Base-Backbone interact. energy: -0.486
local terms energy: -81.323521
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -22.924
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: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -211.554058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.554058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.554058 (E_RNA)
where:
Base-Base interactions energy: -148.562
where: short stacking energy: -62.192
Base-Backbone interact. energy: -0.136
local terms energy: -62.855844
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -170.809205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.809205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.809205 (E_RNA)
where:
Base-Base interactions energy: -105.505
where: short stacking energy: -55.267
Base-Backbone interact. energy: -0.021
local terms energy: -65.282852
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -175.994623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.994623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.994623 (E_RNA)
where:
Base-Base interactions energy: -104.889
where: short stacking energy: -66.118
Base-Backbone interact. energy: -0.296
local terms energy: -70.809561
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -148.328179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.328179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.328179 (E_RNA)
where:
Base-Base interactions energy: -89.045
where: short stacking energy: -34.997
Base-Backbone interact. energy: -0.345
local terms energy: -58.938316
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -9.267
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: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -88.150441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.150441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.150441 (E_RNA)
where:
Base-Base interactions energy: -40.573
where: short stacking energy: -35.559
Base-Backbone interact. energy: -0.449
local terms energy: -47.128319
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -95.077797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.077797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.077797 (E_RNA)
where:
Base-Base interactions energy: -42.092
where: short stacking energy: -40.788
Base-Backbone interact. energy: -0.099
local terms energy: -52.886841
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -100.888578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.888578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.888578 (E_RNA)
where:
Base-Base interactions energy: -39.322
where: short stacking energy: -38.338
Base-Backbone interact. energy: 0.261
local terms energy: -61.828007
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -83.280474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280474 (E_RNA)
where:
Base-Base interactions energy: -25.509
where: short stacking energy: -25.809
Base-Backbone interact. energy: -0.134
local terms energy: -57.637513
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -8.220
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: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -227.576293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.576293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.576293 (E_RNA)
where:
Base-Base interactions energy: -156.203
where: short stacking energy: -61.425
Base-Backbone interact. energy: -1.649
local terms energy: -69.724030
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -13.729
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: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -223.663143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.663143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.663143 (E_RNA)
where:
Base-Base interactions energy: -150.285
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.290
local terms energy: -73.088008
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -210.014891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.014891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.014891 (E_RNA)
where:
Base-Base interactions energy: -137.628
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.705
local terms energy: -71.682403
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -168.752421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.752421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.752421 (E_RNA)
where:
Base-Base interactions energy: -104.746
where: short stacking energy: -46.038
Base-Backbone interact. energy: -1.975
local terms energy: -62.031459
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -6.519
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: 186
Temperature: 1.100000
Total energy: -194.117311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.117311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.117311 (E_RNA)
where:
Base-Base interactions energy: -120.169
where: short stacking energy: -52.351
Base-Backbone interact. energy: 0.032
local terms energy: -73.980013
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -156.411976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.411976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.411976 (E_RNA)
where:
Base-Base interactions energy: -95.274
where: short stacking energy: -41.667
Base-Backbone interact. energy: -0.170
local terms energy: -60.967600
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -93.073157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.073157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.073157 (E_RNA)
where:
Base-Base interactions energy: -34.662
where: short stacking energy: -32.055
Base-Backbone interact. energy: -0.026
local terms energy: -58.385295
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -81.879743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879743 (E_RNA)
where:
Base-Base interactions energy: -24.826
where: short stacking energy: -24.826
Base-Backbone interact. energy: -1.723
local terms energy: -55.331606
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -102.970201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.970201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.970201 (E_RNA)
where:
Base-Base interactions energy: -52.987
where: short stacking energy: -25.057
Base-Backbone interact. energy: -0.526
local terms energy: -49.457240
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -3.926
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: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -77.215465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.215465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.215465 (E_RNA)
where:
Base-Base interactions energy: -36.721
where: short stacking energy: -31.850
Base-Backbone interact. energy: -0.436
local terms energy: -40.058647
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: 0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -221.931670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.931670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.931670 (E_RNA)
where:
Base-Base interactions energy: -146.602
where: short stacking energy: -54.958
Base-Backbone interact. energy: -0.009
local terms energy: -75.320355
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -208.459984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.459984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.459984 (E_RNA)
where:
Base-Base interactions energy: -136.023
where: short stacking energy: -51.091
Base-Backbone interact. energy: -0.876
local terms energy: -71.561529
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -216.625008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.625008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.625008 (E_RNA)
where:
Base-Base interactions energy: -149.869
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.145
local terms energy: -66.611754
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -186.983811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.983811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.983811 (E_RNA)
where:
Base-Base interactions energy: -118.664
where: short stacking energy: -52.873
Base-Backbone interact. energy: -0.028
local terms energy: -68.291335
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -169.540321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.540321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.540321 (E_RNA)
where:
Base-Base interactions energy: -111.438
where: short stacking energy: -53.007
Base-Backbone interact. energy: -0.126
local terms energy: -57.976365
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -11.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -165.999116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.999116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.999116 (E_RNA)
where:
Base-Base interactions energy: -103.694
where: short stacking energy: -50.417
Base-Backbone interact. energy: -0.483
local terms energy: -61.822451
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -107.201188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.201188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.201188 (E_RNA)
where:
Base-Base interactions energy: -44.099
where: short stacking energy: -44.099
Base-Backbone interact. energy: -0.000
local terms energy: -63.101749
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -10.880
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: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -96.567287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.567287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.567287 (E_RNA)
where:
Base-Base interactions energy: -46.055
where: short stacking energy: -28.358
Base-Backbone interact. energy: 0.352
local terms energy: -50.864492
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -95.264791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.264791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.264791 (E_RNA)
where:
Base-Base interactions energy: -53.659
where: short stacking energy: -25.425
Base-Backbone interact. energy: -0.187
local terms energy: -41.418643
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -0.510
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: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -81.725377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.725377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.725377 (E_RNA)
where:
Base-Base interactions energy: -29.915
where: short stacking energy: -26.760
Base-Backbone interact. energy: 0.108
local terms energy: -51.918437
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -223.942995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.942995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.942995 (E_RNA)
where:
Base-Base interactions energy: -153.353
where: short stacking energy: -62.495
Base-Backbone interact. energy: -2.116
local terms energy: -68.473903
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -213.344354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.344354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.344354 (E_RNA)
where:
Base-Base interactions energy: -137.601
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.209
local terms energy: -75.534877
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -216.527861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.527861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.527861 (E_RNA)
where:
Base-Base interactions energy: -142.893
where: short stacking energy: -52.715
Base-Backbone interact. energy: -0.263
local terms energy: -73.371982
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -177.580542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.580542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.580542 (E_RNA)
where:
Base-Base interactions energy: -107.730
where: short stacking energy: -61.551
Base-Backbone interact. energy: -1.230
local terms energy: -68.620647
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -165.891940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.891940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.891940 (E_RNA)
where:
Base-Base interactions energy: -102.395
where: short stacking energy: -47.628
Base-Backbone interact. energy: -0.178
local terms energy: -63.319286
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -131.139531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.139531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.139531 (E_RNA)
where:
Base-Base interactions energy: -89.146
where: short stacking energy: -24.454
Base-Backbone interact. energy: -0.887
local terms energy: -41.106885
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -106.125693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.125693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.125693 (E_RNA)
where:
Base-Base interactions energy: -53.226
where: short stacking energy: -24.299
Base-Backbone interact. energy: -1.269
local terms energy: -51.631128
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -9.142
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -85.034702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.034702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.034702 (E_RNA)
where:
Base-Base interactions energy: -32.712
where: short stacking energy: -24.305
Base-Backbone interact. energy: -0.099
local terms energy: -52.223515
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -0.996
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: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -82.596639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.596639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.596639 (E_RNA)
where:
Base-Base interactions energy: -39.700
where: short stacking energy: -37.731
Base-Backbone interact. energy: 2.001
local terms energy: -44.897538
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -80.153457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.153457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.153457 (E_RNA)
where:
Base-Base interactions energy: -30.611
where: short stacking energy: -19.825
Base-Backbone interact. energy: -0.358
local terms energy: -49.184690
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -221.214533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.214533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.214533 (E_RNA)
where:
Base-Base interactions energy: -151.311
where: short stacking energy: -60.840
Base-Backbone interact. energy: -0.578
local terms energy: -69.325498
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -219.708983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.708983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.708983 (E_RNA)
where:
Base-Base interactions energy: -139.069
where: short stacking energy: -57.405
Base-Backbone interact. energy: -3.030
local terms energy: -77.610149
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -210.214067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.214067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.214067 (E_RNA)
where:
Base-Base interactions energy: -135.927
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.607
local terms energy: -73.679622
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -8.783
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: 189
Temperature: 1.050000
Total energy: -178.077232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.077232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.077232 (E_RNA)
where:
Base-Base interactions energy: -114.917
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.609
local terms energy: -62.551358
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -180.766960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.766960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.766960 (E_RNA)
where:
Base-Base interactions energy: -116.136
where: short stacking energy: -60.893
Base-Backbone interact. energy: -0.063
local terms energy: -64.567614
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -123.738311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.738311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.738311 (E_RNA)
where:
Base-Base interactions energy: -63.529
where: short stacking energy: -37.755
Base-Backbone interact. energy: -0.107
local terms energy: -60.102507
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -82.608404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.608404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.608404 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -23.605
Base-Backbone interact. energy: 0.153
local terms energy: -45.145400
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -9.337
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: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -88.475563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.475563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.475563 (E_RNA)
where:
Base-Base interactions energy: -41.267
where: short stacking energy: -29.143
Base-Backbone interact. energy: 0.074
local terms energy: -47.282385
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -88.906771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.906771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.906771 (E_RNA)
where:
Base-Base interactions energy: -34.272
where: short stacking energy: -30.086
Base-Backbone interact. energy: -0.082
local terms energy: -54.552937
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -79.724785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.724785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.724785 (E_RNA)
where:
Base-Base interactions energy: -30.741
where: short stacking energy: -30.421
Base-Backbone interact. energy: -0.101
local terms energy: -48.882246
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -9.183
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: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -228.381466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.381466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.381466 (E_RNA)
where:
Base-Base interactions energy: -148.407
where: short stacking energy: -59.490
Base-Backbone interact. energy: -1.694
local terms energy: -78.279971
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -18.597
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: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -226.264649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.264649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.264649 (E_RNA)
where:
Base-Base interactions energy: -149.690
where: short stacking energy: -67.839
Base-Backbone interact. energy: -0.806
local terms energy: -75.768714
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -20.150
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: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -203.861426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.861426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.861426 (E_RNA)
where:
Base-Base interactions energy: -134.612
where: short stacking energy: -62.187
Base-Backbone interact. energy: -0.161
local terms energy: -69.087940
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -174.517045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.517045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.517045 (E_RNA)
where:
Base-Base interactions energy: -109.851
where: short stacking energy: -62.241
Base-Backbone interact. energy: 0.561
local terms energy: -65.226466
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -174.760250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.760250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.760250 (E_RNA)
where:
Base-Base interactions energy: -110.315
where: short stacking energy: -58.320
Base-Backbone interact. energy: -0.758
local terms energy: -63.686914
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -12.951
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: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -126.437540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.437540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.437540 (E_RNA)
where:
Base-Base interactions energy: -76.089
where: short stacking energy: -30.893
Base-Backbone interact. energy: -1.470
local terms energy: -48.878509
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -9.857
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: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -86.587545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.587545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.587545 (E_RNA)
where:
Base-Base interactions energy: -44.970
where: short stacking energy: -44.970
Base-Backbone interact. energy: 0.550
local terms energy: -42.167464
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -0.875
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: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -87.399805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.399805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.399805 (E_RNA)
where:
Base-Base interactions energy: -32.315
where: short stacking energy: -26.243
Base-Backbone interact. energy: -0.126
local terms energy: -54.959582
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -4.199
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: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -78.657107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.657107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.657107 (E_RNA)
where:
Base-Base interactions energy: -35.604
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.031
local terms energy: -43.022015
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -1.992
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: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -70.518022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.518022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.518022 (E_RNA)
where:
Base-Base interactions energy: -21.049
where: short stacking energy: -21.049
Base-Backbone interact. energy: -0.110
local terms energy: -49.358843
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -223.034485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.034485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.034485 (E_RNA)
where:
Base-Base interactions energy: -141.715
where: short stacking energy: -67.555
Base-Backbone interact. energy: -0.056
local terms energy: -81.263814
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -21.438
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: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -211.608931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.608931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.608931 (E_RNA)
where:
Base-Base interactions energy: -141.302
where: short stacking energy: -62.401
Base-Backbone interact. energy: -1.152
local terms energy: -69.155625
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -217.258580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.258580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.258580 (E_RNA)
where:
Base-Base interactions energy: -142.140
where: short stacking energy: -69.828
Base-Backbone interact. energy: -1.270
local terms energy: -73.847845
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -19.361
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: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -166.290070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.290070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.290070 (E_RNA)
where:
Base-Base interactions energy: -99.450
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.263
local terms energy: -66.577333
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -158.533601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.533601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.533601 (E_RNA)
where:
Base-Base interactions energy: -95.225
where: short stacking energy: -47.871
Base-Backbone interact. energy: -0.022
local terms energy: -63.286930
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -109.586297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.586297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.586297 (E_RNA)
where:
Base-Base interactions energy: -63.045
where: short stacking energy: -24.412
Base-Backbone interact. energy: -0.361
local terms energy: -46.180797
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -96.131850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.131850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.131850 (E_RNA)
where:
Base-Base interactions energy: -36.252
where: short stacking energy: -33.440
Base-Backbone interact. energy: -0.087
local terms energy: -59.793068
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -3.352
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: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -90.601952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.601952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.601952 (E_RNA)
where:
Base-Base interactions energy: -34.382
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.199
local terms energy: -56.020673
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -80.445409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.445409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.445409 (E_RNA)
where:
Base-Base interactions energy: -32.795
where: short stacking energy: -28.525
Base-Backbone interact. energy: -0.016
local terms energy: -47.633799
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -5.751
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -4.180
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: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -87.975058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.975058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.975058 (E_RNA)
where:
Base-Base interactions energy: -32.355
where: short stacking energy: -28.592
Base-Backbone interact. energy: -0.092
local terms energy: -55.528276
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -225.805745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.805745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.805745 (E_RNA)
where:
Base-Base interactions energy: -150.948
where: short stacking energy: -73.098
Base-Backbone interact. energy: 1.159
local terms energy: -76.017433
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -225.094446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.094446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.094446 (E_RNA)
where:
Base-Base interactions energy: -143.074
where: short stacking energy: -67.055
Base-Backbone interact. energy: -0.031
local terms energy: -81.989497
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -185.496902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.496902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.496902 (E_RNA)
where:
Base-Base interactions energy: -120.755
where: short stacking energy: -52.074
Base-Backbone interact. energy: -0.908
local terms energy: -63.834100
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -170.869812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.869812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.869812 (E_RNA)
where:
Base-Base interactions energy: -100.056
where: short stacking energy: -60.216
Base-Backbone interact. energy: -0.021
local terms energy: -70.792298
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.905
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: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -173.133947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.133947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.133947 (E_RNA)
where:
Base-Base interactions energy: -104.225
where: short stacking energy: -67.068
Base-Backbone interact. energy: -0.186
local terms energy: -68.722858
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -93.803302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.803302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.803302 (E_RNA)
where:
Base-Base interactions energy: -33.556
where: short stacking energy: -31.079
Base-Backbone interact. energy: -0.009
local terms energy: -60.237745
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -110.252503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.252503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.252503 (E_RNA)
where:
Base-Base interactions energy: -52.520
where: short stacking energy: -42.499
Base-Backbone interact. energy: -0.673
local terms energy: -57.059340
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -86.962633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.962633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.962633 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -29.913
Base-Backbone interact. energy: -0.078
local terms energy: -56.972146
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -83.975369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.975369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.975369 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -27.909
Base-Backbone interact. energy: 1.131
local terms energy: -54.877733
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -7.304
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: 192
Temperature: 1.350000
Total energy: -67.163474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.163474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.163474 (E_RNA)
where:
Base-Base interactions energy: -18.020
where: short stacking energy: -18.820
Base-Backbone interact. energy: -0.345
local terms energy: -48.798105
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -225.484181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.484181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.484181 (E_RNA)
where:
Base-Base interactions energy: -149.298
where: short stacking energy: -73.044
Base-Backbone interact. energy: -0.046
local terms energy: -76.139691
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -220.171894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.171894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.171894 (E_RNA)
where:
Base-Base interactions energy: -145.777
where: short stacking energy: -72.049
Base-Backbone interact. energy: -0.098
local terms energy: -74.297617
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -178.741651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.741651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.741651 (E_RNA)
where:
Base-Base interactions energy: -112.155
where: short stacking energy: -46.280
Base-Backbone interact. energy: -0.312
local terms energy: -66.275409
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -179.710309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.710309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.710309 (E_RNA)
where:
Base-Base interactions energy: -114.519
where: short stacking energy: -62.560
Base-Backbone interact. energy: -0.000
local terms energy: -65.190980
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -9.549
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: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -165.067358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.067358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.067358 (E_RNA)
where:
Base-Base interactions energy: -96.812
where: short stacking energy: -50.690
Base-Backbone interact. energy: -0.111
local terms energy: -68.144170
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -111.412348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.412348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.412348 (E_RNA)
where:
Base-Base interactions energy: -50.852
where: short stacking energy: -42.691
Base-Backbone interact. energy: -0.426
local terms energy: -60.134134
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -92.062023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.062023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.062023 (E_RNA)
where:
Base-Base interactions energy: -50.097
where: short stacking energy: -26.404
Base-Backbone interact. energy: 1.276
local terms energy: -43.241125
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -6.187
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: 0.426
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: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -81.567606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.567606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.567606 (E_RNA)
where:
Base-Base interactions energy: -38.554
where: short stacking energy: -32.029
Base-Backbone interact. energy: -0.154
local terms energy: -42.860108
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: 0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -88.068373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.068373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.068373 (E_RNA)
where:
Base-Base interactions energy: -34.952
where: short stacking energy: -34.952
Base-Backbone interact. energy: -0.348
local terms energy: -52.768936
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -9.590
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: 193
Temperature: 1.350000
Total energy: -70.754011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.754011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.754011 (E_RNA)
where:
Base-Base interactions energy: -21.849
where: short stacking energy: -21.849
Base-Backbone interact. energy: 0.157
local terms energy: -49.062424
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: 0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -222.511815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.511815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.511815 (E_RNA)
where:
Base-Base interactions energy: -151.785
where: short stacking energy: -57.189
Base-Backbone interact. energy: -1.319
local terms energy: -69.407379
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -218.884875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.884875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.884875 (E_RNA)
where:
Base-Base interactions energy: -139.736
where: short stacking energy: -72.402
Base-Backbone interact. energy: -0.241
local terms energy: -78.907496
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -21.048
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: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -204.832411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.832411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.832411 (E_RNA)
where:
Base-Base interactions energy: -144.328
where: short stacking energy: -50.460
Base-Backbone interact. energy: -0.014
local terms energy: -60.490131
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -173.982561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.982561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.982561 (E_RNA)
where:
Base-Base interactions energy: -104.768
where: short stacking energy: -59.201
Base-Backbone interact. energy: -0.068
local terms energy: -69.146625
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -171.342045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.342045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.342045 (E_RNA)
where:
Base-Base interactions energy: -105.774
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.123
local terms energy: -65.444906
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -105.041027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.041027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.041027 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -34.036
Base-Backbone interact. energy: -0.031
local terms energy: -62.433471
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -89.699960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.699960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.699960 (E_RNA)
where:
Base-Base interactions energy: -32.307
where: short stacking energy: -25.786
Base-Backbone interact. energy: -0.112
local terms energy: -57.281366
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -8.276
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: 194
Temperature: 1.250000
Total energy: -88.401823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.401823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.401823 (E_RNA)
where:
Base-Base interactions energy: -39.036
where: short stacking energy: -37.762
Base-Backbone interact. energy: -0.168
local terms energy: -49.198337
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -8.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -82.140783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.140783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.140783 (E_RNA)
where:
Base-Base interactions energy: -33.196
where: short stacking energy: -31.741
Base-Backbone interact. energy: -0.535
local terms energy: -48.410170
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -92.562264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.562264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.562264 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -38.746
Base-Backbone interact. energy: -0.103
local terms energy: -52.790325
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -219.173770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.173770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.173770 (E_RNA)
where:
Base-Base interactions energy: -142.416
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.674
local terms energy: -76.083397
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -205.390609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.390609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.390609 (E_RNA)
where:
Base-Base interactions energy: -133.268
where: short stacking energy: -51.444
Base-Backbone interact. energy: -0.369
local terms energy: -71.753569
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -216.346566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.346566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.346566 (E_RNA)
where:
Base-Base interactions energy: -140.846
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.114
local terms energy: -75.386564
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -174.728308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.728308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.728308 (E_RNA)
where:
Base-Base interactions energy: -104.186
where: short stacking energy: -50.544
Base-Backbone interact. energy: 1.969
local terms energy: -72.510982
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -158.581811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.581811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.581811 (E_RNA)
where:
Base-Base interactions energy: -94.177
where: short stacking energy: -49.223
Base-Backbone interact. energy: -0.645
local terms energy: -63.760128
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -96.191578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.191578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.191578 (E_RNA)
where:
Base-Base interactions energy: -40.367
where: short stacking energy: -40.367
Base-Backbone interact. energy: -0.086
local terms energy: -55.738589
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -96.661631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.661631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.661631 (E_RNA)
where:
Base-Base interactions energy: -41.206
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.171
local terms energy: -55.284450
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -81.145362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.145362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.145362 (E_RNA)
where:
Base-Base interactions energy: -33.367
where: short stacking energy: -33.367
Base-Backbone interact. energy: 0.379
local terms energy: -48.157657
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -82.608165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.608165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.608165 (E_RNA)
where:
Base-Base interactions energy: -32.453
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.231
local terms energy: -49.924165
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -73.591548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.591548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.591548 (E_RNA)
where:
Base-Base interactions energy: -30.619
where: short stacking energy: -21.380
Base-Backbone interact. energy: -0.177
local terms energy: -42.796071
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -213.966767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.966767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.966767 (E_RNA)
where:
Base-Base interactions energy: -138.090
where: short stacking energy: -64.487
Base-Backbone interact. energy: -0.917
local terms energy: -74.959833
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -213.867873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.867873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.867873 (E_RNA)
where:
Base-Base interactions energy: -146.547
where: short stacking energy: -55.573
Base-Backbone interact. energy: -0.079
local terms energy: -67.241935
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -213.554877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.554877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.554877 (E_RNA)
where:
Base-Base interactions energy: -138.035
where: short stacking energy: -59.701
Base-Backbone interact. energy: -0.026
local terms energy: -75.493211
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -181.974103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.974103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.974103 (E_RNA)
where:
Base-Base interactions energy: -107.664
where: short stacking energy: -56.129
Base-Backbone interact. energy: -0.002
local terms energy: -74.307485
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -179.366728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.366728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.366728 (E_RNA)
where:
Base-Base interactions energy: -110.673
where: short stacking energy: -51.609
Base-Backbone interact. energy: -0.223
local terms energy: -68.470537
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -13.593
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: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -104.111352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.111352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.111352 (E_RNA)
where:
Base-Base interactions energy: -53.124
where: short stacking energy: -31.649
Base-Backbone interact. energy: 1.182
local terms energy: -52.169583
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -9.592
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: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -94.645440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.645440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.645440 (E_RNA)
where:
Base-Base interactions energy: -47.244
where: short stacking energy: -40.401
Base-Backbone interact. energy: -0.097
local terms energy: -47.304481
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -3.719
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: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -95.814497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.814497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.814497 (E_RNA)
where:
Base-Base interactions energy: -42.116
where: short stacking energy: -31.596
Base-Backbone interact. energy: -0.068
local terms energy: -53.629924
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -93.456013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.456013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.456013 (E_RNA)
where:
Base-Base interactions energy: -37.487
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.406
local terms energy: -55.562920
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -71.756691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.756691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.756691 (E_RNA)
where:
Base-Base interactions energy: -25.355
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.104
local terms energy: -46.297009
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -10.446
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: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -222.969885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.969885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.969885 (E_RNA)
where:
Base-Base interactions energy: -147.898
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.010
local terms energy: -75.061198
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -18.981
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: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -220.546616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.546616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.546616 (E_RNA)
where:
Base-Base interactions energy: -144.931
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.021
local terms energy: -75.594731
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -214.916102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.916102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.916102 (E_RNA)
where:
Base-Base interactions energy: -141.792
where: short stacking energy: -58.903
Base-Backbone interact. energy: -0.797
local terms energy: -72.327194
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -19.654
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: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -177.756579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.756579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.756579 (E_RNA)
where:
Base-Base interactions energy: -109.413
where: short stacking energy: -65.225
Base-Backbone interact. energy: -0.039
local terms energy: -68.305105
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -149.115041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.115041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.115041 (E_RNA)
where:
Base-Base interactions energy: -90.683
where: short stacking energy: -33.677
Base-Backbone interact. energy: 0.295
local terms energy: -58.727106
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -104.328244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.328244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.328244 (E_RNA)
where:
Base-Base interactions energy: -57.649
where: short stacking energy: -32.428
Base-Backbone interact. energy: -0.136
local terms energy: -46.543304
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -93.215603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.215603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.215603 (E_RNA)
where:
Base-Base interactions energy: -39.117
where: short stacking energy: -28.487
Base-Backbone interact. energy: -0.061
local terms energy: -54.037793
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -89.517248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.517248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.517248 (E_RNA)
where:
Base-Base interactions energy: -31.951
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.206
local terms energy: -57.359896
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -10.831
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: 197
Temperature: 1.300000
Total energy: -88.544434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.544434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.544434 (E_RNA)
where:
Base-Base interactions energy: -33.847
where: short stacking energy: -33.442
Base-Backbone interact. energy: -0.059
local terms energy: -54.638179
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -73.895830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.895830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.895830 (E_RNA)
where:
Base-Base interactions energy: -25.372
where: short stacking energy: -24.208
Base-Backbone interact. energy: 0.056
local terms energy: -48.580511
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -10.198
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: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -226.155045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.155045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.155045 (E_RNA)
where:
Base-Base interactions energy: -144.786
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.034
local terms energy: -81.334466
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -217.423486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.423486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.423486 (E_RNA)
where:
Base-Base interactions energy: -144.231
where: short stacking energy: -59.473
Base-Backbone interact. energy: -0.009
local terms energy: -73.183535
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -9.324
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: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -216.394862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.394862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.394862 (E_RNA)
where:
Base-Base interactions energy: -138.907
where: short stacking energy: -71.567
Base-Backbone interact. energy: -1.405
local terms energy: -76.083251
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -181.674214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.674214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.674214 (E_RNA)
where:
Base-Base interactions energy: -104.745
where: short stacking energy: -58.764
Base-Backbone interact. energy: -0.811
local terms energy: -76.118997
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -21.549
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: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -163.945782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.945782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.945782 (E_RNA)
where:
Base-Base interactions energy: -100.125
where: short stacking energy: -55.547
Base-Backbone interact. energy: -0.076
local terms energy: -63.745076
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -96.394449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.394449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.394449 (E_RNA)
where:
Base-Base interactions energy: -52.844
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.245
local terms energy: -43.305517
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -6.219
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -1.760
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: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -107.097875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.097875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.097875 (E_RNA)
where:
Base-Base interactions energy: -62.185
where: short stacking energy: -31.692
Base-Backbone interact. energy: 1.074
local terms energy: -45.987017
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -86.732768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.732768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.732768 (E_RNA)
where:
Base-Base interactions energy: -24.950
where: short stacking energy: -24.950
Base-Backbone interact. energy: -0.258
local terms energy: -61.524351
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -81.297466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.297466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.297466 (E_RNA)
where:
Base-Base interactions energy: -30.947
where: short stacking energy: -30.947
Base-Backbone interact. energy: -0.178
local terms energy: -50.172681
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -8.831
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -75.647126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.647126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.647126 (E_RNA)
where:
Base-Base interactions energy: -34.803
where: short stacking energy: -30.977
Base-Backbone interact. energy: -0.212
local terms energy: -40.632207
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -6.452
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -1.686
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: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -217.709741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.709741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.709741 (E_RNA)
where:
Base-Base interactions energy: -136.158
where: short stacking energy: -61.775
Base-Backbone interact. energy: -2.006
local terms energy: -79.545339
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -223.674420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.674420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.674420 (E_RNA)
where:
Base-Base interactions energy: -147.287
where: short stacking energy: -70.839
Base-Backbone interact. energy: -1.478
local terms energy: -74.909558
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -214.176945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.176945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.176945 (E_RNA)
where:
Base-Base interactions energy: -139.605
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.066
local terms energy: -74.506470
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -168.009257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.009257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.009257 (E_RNA)
where:
Base-Base interactions energy: -104.794
where: short stacking energy: -53.205
Base-Backbone interact. energy: -0.060
local terms energy: -63.155355
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -16.424
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: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -175.443549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.443549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.443549 (E_RNA)
where:
Base-Base interactions energy: -112.983
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.016
local terms energy: -62.444431
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -139.555146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.555146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.555146 (E_RNA)
where:
Base-Base interactions energy: -69.952
where: short stacking energy: -44.205
Base-Backbone interact. energy: -0.087
local terms energy: -69.515286
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -105.184152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.184152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.184152 (E_RNA)
where:
Base-Base interactions energy: -49.546
where: short stacking energy: -38.255
Base-Backbone interact. energy: -0.470
local terms energy: -55.167785
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -89.186268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.186268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.186268 (E_RNA)
where:
Base-Base interactions energy: -33.292
where: short stacking energy: -33.292
Base-Backbone interact. energy: -1.258
local terms energy: -54.636285
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -7.904
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -80.277636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.277636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.277636 (E_RNA)
where:
Base-Base interactions energy: -27.730
where: short stacking energy: -27.730
Base-Backbone interact. energy: 0.305
local terms energy: -52.852761
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -85.725776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.725776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.725776 (E_RNA)
where:
Base-Base interactions energy: -44.714
where: short stacking energy: -26.995
Base-Backbone interact. energy: 1.628
local terms energy: -42.639304
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -229.672202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.672202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.672202 (E_RNA)
where:
Base-Base interactions energy: -151.981
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.148
local terms energy: -77.542856
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -19.057
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: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -219.448866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.448866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.448866 (E_RNA)
where:
Base-Base interactions energy: -142.734
where: short stacking energy: -65.201
Base-Backbone interact. energy: 0.998
local terms energy: -77.712819
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -20.343
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: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -213.361028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.361028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.361028 (E_RNA)
where:
Base-Base interactions energy: -144.600
where: short stacking energy: -59.366
Base-Backbone interact. energy: -0.629
local terms energy: -68.132088
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -172.201458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.201458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.201458 (E_RNA)
where:
Base-Base interactions energy: -110.676
where: short stacking energy: -59.550
Base-Backbone interact. energy: -1.987
local terms energy: -59.539046
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -8.487
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -162.481592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.481592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.481592 (E_RNA)
where:
Base-Base interactions energy: -100.464
where: short stacking energy: -48.322
Base-Backbone interact. energy: -0.184
local terms energy: -61.833904
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -121.058138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.058138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.058138 (E_RNA)
where:
Base-Base interactions energy: -54.291
where: short stacking energy: -31.579
Base-Backbone interact. energy: -0.047
local terms energy: -66.720288
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -10.301
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: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -85.155259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.155259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.155259 (E_RNA)
where:
Base-Base interactions energy: -38.920
where: short stacking energy: -36.731
Base-Backbone interact. energy: -0.498
local terms energy: -45.738072
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -114.853920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.853920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.853920 (E_RNA)
where:
Base-Base interactions energy: -60.287
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.955
local terms energy: -53.611987
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -8.461
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: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -95.696772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.696772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.696772 (E_RNA)
where:
Base-Base interactions energy: -44.286
where: short stacking energy: -24.000
Base-Backbone interact. energy: -0.662
local terms energy: -50.748626
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -4.477
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: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -82.127582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.127582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.127582 (E_RNA)
where:
Base-Base interactions energy: -29.528
where: short stacking energy: -27.246
Base-Backbone interact. energy: -0.897
local terms energy: -51.703035
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -10.789
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: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -227.444736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.444736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.444736 (E_RNA)
where:
Base-Base interactions energy: -151.493
where: short stacking energy: -72.293
Base-Backbone interact. energy: -0.002
local terms energy: -75.950038
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -214.959575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.959575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.959575 (E_RNA)
where:
Base-Base interactions energy: -144.895
where: short stacking energy: -56.956
Base-Backbone interact. energy: -0.053
local terms energy: -70.011280
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -14.777
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: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -211.646205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.646205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.646205 (E_RNA)
where:
Base-Base interactions energy: -137.749
where: short stacking energy: -63.995
Base-Backbone interact. energy: -0.046
local terms energy: -73.851700
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -177.567228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.567228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.567228 (E_RNA)
where:
Base-Base interactions energy: -110.826
where: short stacking energy: -56.559
Base-Backbone interact. energy: -0.065
local terms energy: -66.676084
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -161.381128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.381128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.381128 (E_RNA)
where:
Base-Base interactions energy: -101.799
where: short stacking energy: -42.519
Base-Backbone interact. energy: 0.961
local terms energy: -60.543461
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -98.677150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.677150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.677150 (E_RNA)
where:
Base-Base interactions energy: -49.399
where: short stacking energy: -43.107
Base-Backbone interact. energy: 0.963
local terms energy: -50.241624
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -106.302180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.302180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.302180 (E_RNA)
where:
Base-Base interactions energy: -48.622
where: short stacking energy: -46.413
Base-Backbone interact. energy: 0.699
local terms energy: -58.379328
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -7.462
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: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -98.201644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.201644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.201644 (E_RNA)
where:
Base-Base interactions energy: -42.758
where: short stacking energy: -31.579
Base-Backbone interact. energy: -0.051
local terms energy: -55.392189
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -4.466
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: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -82.970429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.970429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.970429 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -28.127
Base-Backbone interact. energy: -0.209
local terms energy: -49.726535
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -82.035860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.035860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.035860 (E_RNA)
where:
Base-Base interactions energy: -31.993
where: short stacking energy: -31.993
Base-Backbone interact. energy: -0.679
local terms energy: -49.363972
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -3.825
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: 202
Temperature: 0.900000
Total energy: -223.093408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.093408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.093408 (E_RNA)
where:
Base-Base interactions energy: -154.687
where: short stacking energy: -57.928
Base-Backbone interact. energy: -0.753
local terms energy: -67.653190
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -217.062455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.062455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.062455 (E_RNA)
where:
Base-Base interactions energy: -142.906
where: short stacking energy: -63.820
Base-Backbone interact. energy: -0.773
local terms energy: -73.382999
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -21.297
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: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -203.509483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.509483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.509483 (E_RNA)
where:
Base-Base interactions energy: -134.121
where: short stacking energy: -55.978
Base-Backbone interact. energy: -0.335
local terms energy: -69.053014
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -17.562
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: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -202.737481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.737481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.737481 (E_RNA)
where:
Base-Base interactions energy: -143.777
where: short stacking energy: -54.861
Base-Backbone interact. energy: -0.276
local terms energy: -58.684643
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -12.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -168.863816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.863816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.863816 (E_RNA)
where:
Base-Base interactions energy: -107.327
where: short stacking energy: -48.471
Base-Backbone interact. energy: -0.999
local terms energy: -60.537497
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -101.576790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.576790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.576790 (E_RNA)
where:
Base-Base interactions energy: -43.443
where: short stacking energy: -39.532
Base-Backbone interact. energy: -0.672
local terms energy: -57.462470
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -103.836678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.836678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.836678 (E_RNA)
where:
Base-Base interactions energy: -45.903
where: short stacking energy: -41.576
Base-Backbone interact. energy: -1.306
local terms energy: -56.627584
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -9.565
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: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -92.573725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.573725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.573725 (E_RNA)
where:
Base-Base interactions energy: -40.879
where: short stacking energy: -32.796
Base-Backbone interact. energy: -0.050
local terms energy: -51.644811
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -78.478953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.478953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.478953 (E_RNA)
where:
Base-Base interactions energy: -26.033
where: short stacking energy: -20.669
Base-Backbone interact. energy: -0.839
local terms energy: -51.606810
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.014
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: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -73.583077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.583077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.583077 (E_RNA)
where:
Base-Base interactions energy: -28.259
where: short stacking energy: -26.509
Base-Backbone interact. energy: -0.343
local terms energy: -44.981254
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: 1.224
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: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -221.131270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.131270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.131270 (E_RNA)
where:
Base-Base interactions energy: -155.557
where: short stacking energy: -65.574
Base-Backbone interact. energy: -0.279
local terms energy: -65.295306
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -197.445428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.445428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.445428 (E_RNA)
where:
Base-Base interactions energy: -122.361
where: short stacking energy: -54.796
Base-Backbone interact. energy: 1.419
local terms energy: -76.502971
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -214.775063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.775063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.775063 (E_RNA)
where:
Base-Base interactions energy: -139.130
where: short stacking energy: -68.673
Base-Backbone interact. energy: -0.004
local terms energy: -75.641345
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -203.250549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.250549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.250549 (E_RNA)
where:
Base-Base interactions energy: -129.908
where: short stacking energy: -58.395
Base-Backbone interact. energy: -0.050
local terms energy: -73.292764
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -167.372582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.372582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.372582 (E_RNA)
where:
Base-Base interactions energy: -98.954
where: short stacking energy: -49.062
Base-Backbone interact. energy: -0.034
local terms energy: -68.384926
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -100.636125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.636125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.636125 (E_RNA)
where:
Base-Base interactions energy: -51.391
where: short stacking energy: -33.635
Base-Backbone interact. energy: -0.050
local terms energy: -49.195312
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -88.147986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.147986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.147986 (E_RNA)
where:
Base-Base interactions energy: -32.511
where: short stacking energy: -28.246
Base-Backbone interact. energy: -0.113
local terms energy: -55.524450
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -86.593444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.593444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.593444 (E_RNA)
where:
Base-Base interactions energy: -27.074
where: short stacking energy: -27.074
Base-Backbone interact. energy: 0.194
local terms energy: -59.713740
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -87.030601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.030601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.030601 (E_RNA)
where:
Base-Base interactions energy: -29.933
where: short stacking energy: -29.933
Base-Backbone interact. energy: -0.392
local terms energy: -56.705370
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -10.075
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: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -80.133400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.133400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.133400 (E_RNA)
where:
Base-Base interactions energy: -32.973
where: short stacking energy: -13.690
Base-Backbone interact. energy: -0.907
local terms energy: -46.253820
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -7.393
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: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -190.626592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.626592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.626592 (E_RNA)
where:
Base-Base interactions energy: -119.149
where: short stacking energy: -67.024
Base-Backbone interact. energy: -0.067
local terms energy: -71.410847
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -215.525894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.525894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.525894 (E_RNA)
where:
Base-Base interactions energy: -138.945
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.311
local terms energy: -76.270560
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -20.048
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: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -210.580920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.580920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.580920 (E_RNA)
where:
Base-Base interactions energy: -141.205
where: short stacking energy: -51.782
Base-Backbone interact. energy: -0.881
local terms energy: -68.494922
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -217.628849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.628849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.628849 (E_RNA)
where:
Base-Base interactions energy: -141.784
where: short stacking energy: -56.918
Base-Backbone interact. energy: -0.226
local terms energy: -75.618597
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -158.410252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.410252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.410252 (E_RNA)
where:
Base-Base interactions energy: -92.607
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.316
local terms energy: -65.486951
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -139.893346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.893346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.893346 (E_RNA)
where:
Base-Base interactions energy: -73.424
where: short stacking energy: -45.198
Base-Backbone interact. energy: -0.321
local terms energy: -66.148409
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -11.981
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: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -100.445364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.445364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.445364 (E_RNA)
where:
Base-Base interactions energy: -49.124
where: short stacking energy: -39.225
Base-Backbone interact. energy: -0.331
local terms energy: -50.990638
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -6.602
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: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -85.128994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.128994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.128994 (E_RNA)
where:
Base-Base interactions energy: -32.790
where: short stacking energy: -30.341
Base-Backbone interact. energy: -0.059
local terms energy: -52.280427
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -7.850
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -81.270532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.270532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.270532 (E_RNA)
where:
Base-Base interactions energy: -30.901
where: short stacking energy: -30.884
Base-Backbone interact. energy: -0.105
local terms energy: -50.264845
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -113.762143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.762143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.762143 (E_RNA)
where:
Base-Base interactions energy: -65.825
where: short stacking energy: -35.322
Base-Backbone interact. energy: -0.040
local terms energy: -47.897511
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -7.327
flat angles P-C4'-P energy: -8.457
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: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -171.857523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.857523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.857523 (E_RNA)
where:
Base-Base interactions energy: -103.080
where: short stacking energy: -59.901
Base-Backbone interact. energy: 1.700
local terms energy: -70.477410
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -11.409
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: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -215.722291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.722291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.722291 (E_RNA)
where:
Base-Base interactions energy: -141.630
where: short stacking energy: -73.372
Base-Backbone interact. energy: -0.004
local terms energy: -74.087582
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -202.463466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.463466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.463466 (E_RNA)
where:
Base-Base interactions energy: -139.003
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.648
local terms energy: -62.812410
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -221.289686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.289686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.289686 (E_RNA)
where:
Base-Base interactions energy: -142.964
where: short stacking energy: -63.671
Base-Backbone interact. energy: -0.970
local terms energy: -77.355499
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -164.049361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.049361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.049361 (E_RNA)
where:
Base-Base interactions energy: -95.769
where: short stacking energy: -55.114
Base-Backbone interact. energy: -0.004
local terms energy: -68.275702
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -135.074344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.074344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.074344 (E_RNA)
where:
Base-Base interactions energy: -79.895
where: short stacking energy: -40.799
Base-Backbone interact. energy: 0.015
local terms energy: -55.194568
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -9.375
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -6.989
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: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -91.369229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.369229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.369229 (E_RNA)
where:
Base-Base interactions energy: -37.979
where: short stacking energy: -37.979
Base-Backbone interact. energy: -0.071
local terms energy: -53.319848
where:
bonds (distance) C4'-P energy: -7.907
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -8.245
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: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -89.785630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.785630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.785630 (E_RNA)
where:
Base-Base interactions energy: -39.658
where: short stacking energy: -39.658
Base-Backbone interact. energy: -0.054
local terms energy: -50.074263
where:
bonds (distance) C4'-P energy: -4.427
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -98.397293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.397293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.397293 (E_RNA)
where:
Base-Base interactions energy: -52.457
where: short stacking energy: -22.231
Base-Backbone interact. energy: -0.519
local terms energy: -45.421576
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.583
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: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -82.065708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.065708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.065708 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -27.769
Base-Backbone interact. energy: -0.054
local terms energy: -54.242706
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -222.178348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.178348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.178348 (E_RNA)
where:
Base-Base interactions energy: -143.797
where: short stacking energy: -66.965
Base-Backbone interact. energy: -0.007
local terms energy: -78.374471
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -194.371951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.371951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.371951 (E_RNA)
where:
Base-Base interactions energy: -124.348
where: short stacking energy: -60.179
Base-Backbone interact. energy: -0.577
local terms energy: -69.447044
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -15.340
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: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -211.251137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.251137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.251137 (E_RNA)
where:
Base-Base interactions energy: -142.056
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.682
local terms energy: -68.512763
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -209.152830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.152830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.152830 (E_RNA)
where:
Base-Base interactions energy: -143.970
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.401
local terms energy: -64.781788
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -177.755438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.755438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.755438 (E_RNA)
where:
Base-Base interactions energy: -111.656
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.012
local terms energy: -66.087452
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -157.537242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.537242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.537242 (E_RNA)
where:
Base-Base interactions energy: -97.295
where: short stacking energy: -39.237
Base-Backbone interact. energy: 0.602
local terms energy: -60.844428
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -97.590135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.590135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.590135 (E_RNA)
where:
Base-Base interactions energy: -39.789
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.050
local terms energy: -57.750240
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -3.578
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: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -85.389881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.389881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.389881 (E_RNA)
where:
Base-Base interactions energy: -31.244
where: short stacking energy: -31.244
Base-Backbone interact. energy: -0.017
local terms energy: -54.129330
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -79.002353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.002353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.002353 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.100
local terms energy: -49.725138
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -78.633792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.633792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.633792 (E_RNA)
where:
Base-Base interactions energy: -31.984
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.313
local terms energy: -46.336057
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -222.468835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.468835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.468835 (E_RNA)
where:
Base-Base interactions energy: -149.012
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.034
local terms energy: -73.422896
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -18.244
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: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -221.681056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.681056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.681056 (E_RNA)
where:
Base-Base interactions energy: -137.603
where: short stacking energy: -66.670
Base-Backbone interact. energy: 0.939
local terms energy: -85.017028
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -179.490872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.490872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.490872 (E_RNA)
where:
Base-Base interactions energy: -110.363
where: short stacking energy: -65.383
Base-Backbone interact. energy: -0.104
local terms energy: -69.023571
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -17.862
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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -215.762321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.762321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.762321 (E_RNA)
where:
Base-Base interactions energy: -148.455
where: short stacking energy: -75.258
Base-Backbone interact. energy: -0.009
local terms energy: -67.298625
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -206.814269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.814269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.814269 (E_RNA)
where:
Base-Base interactions energy: -137.938
where: short stacking energy: -51.773
Base-Backbone interact. energy: -0.864
local terms energy: -68.012288
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -148.258684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.258684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.258684 (E_RNA)
where:
Base-Base interactions energy: -92.062
where: short stacking energy: -43.253
Base-Backbone interact. energy: -0.006
local terms energy: -56.190866
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -106.812206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.812206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.812206 (E_RNA)
where:
Base-Base interactions energy: -45.430
where: short stacking energy: -19.045
Base-Backbone interact. energy: -0.092
local terms energy: -61.290213
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -88.662128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.662128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.662128 (E_RNA)
where:
Base-Base interactions energy: -28.694
where: short stacking energy: -28.694
Base-Backbone interact. energy: -0.023
local terms energy: -59.945234
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -6.107
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: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -90.547823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.547823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.547823 (E_RNA)
where:
Base-Base interactions energy: -47.114
where: short stacking energy: -41.275
Base-Backbone interact. energy: -0.194
local terms energy: -43.239444
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -4.679
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -6.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -79.942392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.942392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.942392 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -26.568
Base-Backbone interact. energy: -0.158
local terms energy: -44.592336
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: 3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -228.320661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.320661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.320661 (E_RNA)
where:
Base-Base interactions energy: -149.960
where: short stacking energy: -69.800
Base-Backbone interact. energy: -1.528
local terms energy: -76.832110
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -21.170
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: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -224.508546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.508546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.508546 (E_RNA)
where:
Base-Base interactions energy: -145.502
where: short stacking energy: -70.767
Base-Backbone interact. energy: -0.000
local terms energy: -79.006161
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -9.229
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: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -207.301855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.301855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.301855 (E_RNA)
where:
Base-Base interactions energy: -133.256
where: short stacking energy: -62.777
Base-Backbone interact. energy: -0.040
local terms energy: -74.005197
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -175.312484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.312484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.312484 (E_RNA)
where:
Base-Base interactions energy: -103.516
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.103
local terms energy: -71.692980
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -18.740
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: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -188.935535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.935535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.935535 (E_RNA)
where:
Base-Base interactions energy: -123.442
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.164
local terms energy: -65.329324
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -6.618
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: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -160.116842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.116842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.116842 (E_RNA)
where:
Base-Base interactions energy: -96.171
where: short stacking energy: -44.052
Base-Backbone interact. energy: -0.016
local terms energy: -63.929656
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -12.387
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: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -93.946189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.946189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.946189 (E_RNA)
where:
Base-Base interactions energy: -36.364
where: short stacking energy: -34.102
Base-Backbone interact. energy: -1.076
local terms energy: -56.506780
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -92.286298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.286298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.286298 (E_RNA)
where:
Base-Base interactions energy: -45.772
where: short stacking energy: -32.406
Base-Backbone interact. energy: -0.023
local terms energy: -46.491905
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -82.347017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.347017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.347017 (E_RNA)
where:
Base-Base interactions energy: -30.973
where: short stacking energy: -27.214
Base-Backbone interact. energy: -0.244
local terms energy: -51.130156
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -7.686
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: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -87.640303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.640303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.640303 (E_RNA)
where:
Base-Base interactions energy: -40.795
where: short stacking energy: -28.168
Base-Backbone interact. energy: -0.032
local terms energy: -46.813561
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -7.412
flat angles P-C4'-P energy: -5.753
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: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -226.699665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.699665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.699665 (E_RNA)
where:
Base-Base interactions energy: -145.222
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.266
local terms energy: -81.211543
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -23.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -223.220867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.220867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.220867 (E_RNA)
where:
Base-Base interactions energy: -151.210
where: short stacking energy: -73.360
Base-Backbone interact. energy: -0.000
local terms energy: -72.010695
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -10.211
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: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -217.170082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.170082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.170082 (E_RNA)
where:
Base-Base interactions energy: -146.928
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.715
local terms energy: -69.527041
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -175.459920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.459920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.459920 (E_RNA)
where:
Base-Base interactions energy: -113.142
where: short stacking energy: -49.090
Base-Backbone interact. energy: -0.497
local terms energy: -61.821336
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -11.206
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: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -152.614233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.614233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.614233 (E_RNA)
where:
Base-Base interactions energy: -87.997
where: short stacking energy: -48.934
Base-Backbone interact. energy: -0.602
local terms energy: -64.014333
where:
bonds (distance) C4'-P energy: -8.815
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -11.910
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: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -157.149537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.149537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.149537 (E_RNA)
where:
Base-Base interactions energy: -98.009
where: short stacking energy: -55.813
Base-Backbone interact. energy: -0.002
local terms energy: -59.138749
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -4.399
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: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -88.977539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.977539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.977539 (E_RNA)
where:
Base-Base interactions energy: -37.427
where: short stacking energy: -25.077
Base-Backbone interact. energy: 0.648
local terms energy: -52.198242
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -86.786111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.786111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.786111 (E_RNA)
where:
Base-Base interactions energy: -28.359
where: short stacking energy: -25.984
Base-Backbone interact. energy: -0.088
local terms energy: -58.338445
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -88.322368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.322368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.322368 (E_RNA)
where:
Base-Base interactions energy: -45.167
where: short stacking energy: -25.405
Base-Backbone interact. energy: 0.638
local terms energy: -43.793386
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -81.429274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.429274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.429274 (E_RNA)
where:
Base-Base interactions energy: -26.354
where: short stacking energy: -22.218
Base-Backbone interact. energy: -0.172
local terms energy: -54.902740
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: 1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -228.146457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.146457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.146457 (E_RNA)
where:
Base-Base interactions energy: -152.035
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.004
local terms energy: -76.107332
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -223.164151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.164151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.164151 (E_RNA)
where:
Base-Base interactions energy: -144.370
where: short stacking energy: -70.464
Base-Backbone interact. energy: -0.143
local terms energy: -78.650557
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -218.262012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.262012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.262012 (E_RNA)
where:
Base-Base interactions energy: -141.139
where: short stacking energy: -72.304
Base-Backbone interact. energy: -0.239
local terms energy: -76.883571
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -188.531413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.531413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.531413 (E_RNA)
where:
Base-Base interactions energy: -123.524
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.708
local terms energy: -64.299296
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -15.119
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: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -180.540017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.540017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.540017 (E_RNA)
where:
Base-Base interactions energy: -111.131
where: short stacking energy: -53.033
Base-Backbone interact. energy: 0.688
local terms energy: -70.096462
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -13.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -151.897334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.897334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.897334 (E_RNA)
where:
Base-Base interactions energy: -94.592
where: short stacking energy: -50.783
Base-Backbone interact. energy: -1.867
local terms energy: -55.437987
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -88.754186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.754186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.754186 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -33.040
Base-Backbone interact. energy: -0.146
local terms energy: -54.270668
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -87.390675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.390675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.390675 (E_RNA)
where:
Base-Base interactions energy: -39.020
where: short stacking energy: -35.444
Base-Backbone interact. energy: -0.008
local terms energy: -48.362362
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -4.084
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -84.782278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.782278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.782278 (E_RNA)
where:
Base-Base interactions energy: -42.528
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.086
local terms energy: -42.168298
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -76.430199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.430199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.430199 (E_RNA)
where:
Base-Base interactions energy: -24.154
where: short stacking energy: -24.154
Base-Backbone interact. energy: -0.049
local terms energy: -52.227457
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: 1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -230.805865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.805865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.805865 (E_RNA)
where:
Base-Base interactions energy: -153.351
where: short stacking energy: -73.274
Base-Backbone interact. energy: -1.146
local terms energy: -76.307921
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -220.385542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.385542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.385542 (E_RNA)
where:
Base-Base interactions energy: -142.262
where: short stacking energy: -68.231
Base-Backbone interact. energy: -0.450
local terms energy: -77.673796
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -220.968647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.968647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.968647 (E_RNA)
where:
Base-Base interactions energy: -143.680
where: short stacking energy: -70.883
Base-Backbone interact. energy: -0.010
local terms energy: -77.277926
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -20.400
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: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -202.385654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.385654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.385654 (E_RNA)
where:
Base-Base interactions energy: -133.356
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.029
local terms energy: -69.000707
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -15.722
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: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -183.929207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.929207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.929207 (E_RNA)
where:
Base-Base interactions energy: -114.284
where: short stacking energy: -52.598
Base-Backbone interact. energy: -0.304
local terms energy: -69.341694
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -143.507850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.507850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.507850 (E_RNA)
where:
Base-Base interactions energy: -87.935
where: short stacking energy: -47.590
Base-Backbone interact. energy: 0.714
local terms energy: -56.287629
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -3.532
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -122.864977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.864977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.864977 (E_RNA)
where:
Base-Base interactions energy: -66.252
where: short stacking energy: -49.228
Base-Backbone interact. energy: -0.171
local terms energy: -56.441655
where:
bonds (distance) C4'-P energy: -3.860
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -82.585982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.585982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.585982 (E_RNA)
where:
Base-Base interactions energy: -26.920
where: short stacking energy: -22.881
Base-Backbone interact. energy: -0.033
local terms energy: -55.633806
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -91.586295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.586295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.586295 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -39.765
Base-Backbone interact. energy: -0.039
local terms energy: -51.782670
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -9.724
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: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -85.218607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.218607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.218607 (E_RNA)
where:
Base-Base interactions energy: -36.250
where: short stacking energy: -31.424
Base-Backbone interact. energy: -0.088
local terms energy: -48.880866
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -220.830353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.830353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.830353 (E_RNA)
where:
Base-Base interactions energy: -140.306
where: short stacking energy: -58.753
Base-Backbone interact. energy: -0.330
local terms energy: -80.194289
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -220.127700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.127700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.127700 (E_RNA)
where:
Base-Base interactions energy: -149.569
where: short stacking energy: -65.890
Base-Backbone interact. energy: -0.025
local terms energy: -70.533973
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -210.869098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.869098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.869098 (E_RNA)
where:
Base-Base interactions energy: -138.637
where: short stacking energy: -55.526
Base-Backbone interact. energy: -1.274
local terms energy: -70.957836
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -9.102
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: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -202.454309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.454309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.454309 (E_RNA)
where:
Base-Base interactions energy: -132.213
where: short stacking energy: -66.802
Base-Backbone interact. energy: -0.080
local terms energy: -70.160988
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -176.566579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.566579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.566579 (E_RNA)
where:
Base-Base interactions energy: -108.122
where: short stacking energy: -57.581
Base-Backbone interact. energy: -0.751
local terms energy: -67.692865
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -12.466
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: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -165.219315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.219315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.219315 (E_RNA)
where:
Base-Base interactions energy: -107.154
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.029
local terms energy: -58.037235
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -93.488062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.488062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.488062 (E_RNA)
where:
Base-Base interactions energy: -43.727
where: short stacking energy: -38.733
Base-Backbone interact. energy: -0.010
local terms energy: -49.751692
where:
bonds (distance) C4'-P energy: -7.717
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -95.432232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.432232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.432232 (E_RNA)
where:
Base-Base interactions energy: -37.773
where: short stacking energy: -36.553
Base-Backbone interact. energy: 1.229
local terms energy: -58.888389
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -6.898
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: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -106.783732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.783732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.783732 (E_RNA)
where:
Base-Base interactions energy: -61.440
where: short stacking energy: -35.808
Base-Backbone interact. energy: 0.319
local terms energy: -45.662701
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -80.192137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.192137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.192137 (E_RNA)
where:
Base-Base interactions energy: -32.386
where: short stacking energy: -26.011
Base-Backbone interact. energy: -0.168
local terms energy: -47.637845
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -7.643
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: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -222.062092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.062092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.062092 (E_RNA)
where:
Base-Base interactions energy: -146.597
where: short stacking energy: -61.045
Base-Backbone interact. energy: -0.112
local terms energy: -75.353301
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -10.092
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: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -218.303820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.303820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.303820 (E_RNA)
where:
Base-Base interactions energy: -145.911
where: short stacking energy: -67.125
Base-Backbone interact. energy: -0.000
local terms energy: -72.392393
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -20.777
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: 213
Temperature: 1.000000
Total energy: -214.002951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.002951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.002951 (E_RNA)
where:
Base-Base interactions energy: -148.258
where: short stacking energy: -59.262
Base-Backbone interact. energy: -0.122
local terms energy: -65.622887
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -193.713512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.713512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.713512 (E_RNA)
where:
Base-Base interactions energy: -130.742
where: short stacking energy: -59.683
Base-Backbone interact. energy: -0.228
local terms energy: -62.743370
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -157.990222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.990222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.990222 (E_RNA)
where:
Base-Base interactions energy: -95.025
where: short stacking energy: -46.716
Base-Backbone interact. energy: -0.340
local terms energy: -62.625614
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -157.435095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.435095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.435095 (E_RNA)
where:
Base-Base interactions energy: -100.365
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.415
local terms energy: -56.654997
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -89.017777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.017777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.017777 (E_RNA)
where:
Base-Base interactions energy: -47.060
where: short stacking energy: -19.188
Base-Backbone interact. energy: -0.228
local terms energy: -41.729783
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: 0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -95.859216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.859216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.859216 (E_RNA)
where:
Base-Base interactions energy: -42.171
where: short stacking energy: -20.916
Base-Backbone interact. energy: -0.164
local terms energy: -53.524219
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -96.011468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.011468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.011468 (E_RNA)
where:
Base-Base interactions energy: -47.148
where: short stacking energy: -27.952
Base-Backbone interact. energy: -0.216
local terms energy: -48.647536
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -2.347
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: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -77.453675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.453675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.453675 (E_RNA)
where:
Base-Base interactions energy: -28.414
where: short stacking energy: -28.414
Base-Backbone interact. energy: -0.061
local terms energy: -48.977823
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: 0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -226.353794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.353794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.353794 (E_RNA)
where:
Base-Base interactions energy: -148.640
where: short stacking energy: -77.184
Base-Backbone interact. energy: -0.154
local terms energy: -77.558884
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -217.799173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.799173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.799173 (E_RNA)
where:
Base-Base interactions energy: -147.785
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.008
local terms energy: -70.006095
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.351
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: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -217.433976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.433976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.433976 (E_RNA)
where:
Base-Base interactions energy: -137.771
where: short stacking energy: -58.048
Base-Backbone interact. energy: -0.350
local terms energy: -79.312707
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -219.308880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.308880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.308880 (E_RNA)
where:
Base-Base interactions energy: -142.490
where: short stacking energy: -65.773
Base-Backbone interact. energy: -0.060
local terms energy: -76.759203
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -145.070324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.070324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.070324 (E_RNA)
where:
Base-Base interactions energy: -81.535
where: short stacking energy: -43.407
Base-Backbone interact. energy: -0.044
local terms energy: -63.491310
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -7.067
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: 214
Temperature: 1.150000
Total energy: -161.717373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.717373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.717373 (E_RNA)
where:
Base-Base interactions energy: -101.664
where: short stacking energy: -50.430
Base-Backbone interact. energy: -0.255
local terms energy: -59.798444
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -10.624
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: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -97.700065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.700065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.700065 (E_RNA)
where:
Base-Base interactions energy: -42.184
where: short stacking energy: -40.193
Base-Backbone interact. energy: -0.141
local terms energy: -55.375761
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -87.720735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.720735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.720735 (E_RNA)
where:
Base-Base interactions energy: -30.359
where: short stacking energy: -20.247
Base-Backbone interact. energy: -0.218
local terms energy: -57.143563
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.067
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: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -87.348523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.348523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.348523 (E_RNA)
where:
Base-Base interactions energy: -40.742
where: short stacking energy: -30.438
Base-Backbone interact. energy: -0.259
local terms energy: -46.348042
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -6.882
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: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -86.189704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.189704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.189704 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -25.600
Base-Backbone interact. energy: -0.132
local terms energy: -48.497109
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -6.779
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: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -223.695539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.695539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.695539 (E_RNA)
where:
Base-Base interactions energy: -143.414
where: short stacking energy: -64.295
Base-Backbone interact. energy: -0.118
local terms energy: -80.163873
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -220.980090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.980090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.980090 (E_RNA)
where:
Base-Base interactions energy: -137.014
where: short stacking energy: -71.181
Base-Backbone interact. energy: -0.005
local terms energy: -83.960655
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -216.106809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.106809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.106809 (E_RNA)
where:
Base-Base interactions energy: -145.614
where: short stacking energy: -60.087
Base-Backbone interact. energy: -1.175
local terms energy: -69.318754
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -220.011564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.011564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.011564 (E_RNA)
where:
Base-Base interactions energy: -140.917
where: short stacking energy: -58.741
Base-Backbone interact. energy: -1.212
local terms energy: -77.882731
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -19.490
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: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -148.712007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.712007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.712007 (E_RNA)
where:
Base-Base interactions energy: -88.082
where: short stacking energy: -47.597
Base-Backbone interact. energy: 0.867
local terms energy: -61.496917
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -152.395368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.395368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.395368 (E_RNA)
where:
Base-Base interactions energy: -95.115
where: short stacking energy: -46.960
Base-Backbone interact. energy: -0.267
local terms energy: -57.013593
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -86.445555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.445555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.445555 (E_RNA)
where:
Base-Base interactions energy: -30.089
where: short stacking energy: -30.089
Base-Backbone interact. energy: -0.378
local terms energy: -55.978619
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -81.873781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.873781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.873781 (E_RNA)
where:
Base-Base interactions energy: -32.014
where: short stacking energy: -25.880
Base-Backbone interact. energy: 2.224
local terms energy: -52.083925
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -74.014457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.014457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.014457 (E_RNA)
where:
Base-Base interactions energy: -28.671
where: short stacking energy: -28.671
Base-Backbone interact. energy: -0.047
local terms energy: -45.295988
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -78.151341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.151341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.151341 (E_RNA)
where:
Base-Base interactions energy: -26.563
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.194
local terms energy: -51.394256
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -10.737
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: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -226.370775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.370775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.370775 (E_RNA)
where:
Base-Base interactions energy: -149.315
where: short stacking energy: -69.094
Base-Backbone interact. energy: -0.001
local terms energy: -77.054136
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -218.510700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.510700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.510700 (E_RNA)
where:
Base-Base interactions energy: -143.257
where: short stacking energy: -72.199
Base-Backbone interact. energy: -0.170
local terms energy: -75.084000
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -20.462
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: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -204.982891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.982891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.982891 (E_RNA)
where:
Base-Base interactions energy: -145.626
where: short stacking energy: -58.699
Base-Backbone interact. energy: -0.668
local terms energy: -58.689570
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -213.887807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.887807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.887807 (E_RNA)
where:
Base-Base interactions energy: -140.182
where: short stacking energy: -63.729
Base-Backbone interact. energy: -0.040
local terms energy: -73.666205
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -159.853021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.853021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.853021 (E_RNA)
where:
Base-Base interactions energy: -101.613
where: short stacking energy: -36.959
Base-Backbone interact. energy: -0.254
local terms energy: -57.985909
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -162.644305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.644305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.644305 (E_RNA)
where:
Base-Base interactions energy: -99.155
where: short stacking energy: -46.536
Base-Backbone interact. energy: -0.102
local terms energy: -63.387988
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -90.118579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.118579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.118579 (E_RNA)
where:
Base-Base interactions energy: -44.126
where: short stacking energy: -26.055
Base-Backbone interact. energy: -0.156
local terms energy: -45.836227
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -4.235
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: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -88.130838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.130838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.130838 (E_RNA)
where:
Base-Base interactions energy: -41.401
where: short stacking energy: -32.725
Base-Backbone interact. energy: 0.445
local terms energy: -47.174539
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -3.978
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: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -87.082605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.082605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.082605 (E_RNA)
where:
Base-Base interactions energy: -31.672
where: short stacking energy: -24.471
Base-Backbone interact. energy: -0.029
local terms energy: -55.381367
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -77.525060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.525060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.525060 (E_RNA)
where:
Base-Base interactions energy: -26.465
where: short stacking energy: -26.465
Base-Backbone interact. energy: -0.219
local terms energy: -50.840911
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -224.004180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.004180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.004180 (E_RNA)
where:
Base-Base interactions energy: -145.408
where: short stacking energy: -70.231
Base-Backbone interact. energy: -0.881
local terms energy: -77.715679
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -212.030937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.030937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.030937 (E_RNA)
where:
Base-Base interactions energy: -134.430
where: short stacking energy: -56.078
Base-Backbone interact. energy: -1.665
local terms energy: -75.936238
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -218.986048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.986048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.986048 (E_RNA)
where:
Base-Base interactions energy: -149.864
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.005
local terms energy: -69.116888
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -208.195880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.195880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.195880 (E_RNA)
where:
Base-Base interactions energy: -141.506
where: short stacking energy: -55.659
Base-Backbone interact. energy: -0.078
local terms energy: -66.611926
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -7.300
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: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -153.141203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.141203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.141203 (E_RNA)
where:
Base-Base interactions energy: -86.010
where: short stacking energy: -33.449
Base-Backbone interact. energy: -0.145
local terms energy: -66.985864
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -107.049384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.049384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.049384 (E_RNA)
where:
Base-Base interactions energy: -50.056
where: short stacking energy: -44.309
Base-Backbone interact. energy: -0.048
local terms energy: -56.945456
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -101.345566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.345566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.345566 (E_RNA)
where:
Base-Base interactions energy: -47.664
where: short stacking energy: -24.575
Base-Backbone interact. energy: -0.211
local terms energy: -53.470387
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -3.181
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -87.068003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.068003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.068003 (E_RNA)
where:
Base-Base interactions energy: -34.358
where: short stacking energy: -33.807
Base-Backbone interact. energy: -0.041
local terms energy: -52.668636
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -73.202854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.202854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.202854 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -30.603
Base-Backbone interact. energy: 1.234
local terms energy: -40.884453
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -71.212530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.212530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.212530 (E_RNA)
where:
Base-Base interactions energy: -26.872
where: short stacking energy: -14.058
Base-Backbone interact. energy: 0.095
local terms energy: -44.435498
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -0.892
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: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -212.180543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.180543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.180543 (E_RNA)
where:
Base-Base interactions energy: -147.825
where: short stacking energy: -47.837
Base-Backbone interact. energy: -1.342
local terms energy: -63.013779
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -215.354945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.354945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.354945 (E_RNA)
where:
Base-Base interactions energy: -154.530
where: short stacking energy: -59.230
Base-Backbone interact. energy: 1.241
local terms energy: -62.065936
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -8.859
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: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -210.016639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.016639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.016639 (E_RNA)
where:
Base-Base interactions energy: -140.754
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.251
local terms energy: -69.011296
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -211.127351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.127351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.127351 (E_RNA)
where:
Base-Base interactions energy: -139.475
where: short stacking energy: -67.009
Base-Backbone interact. energy: -0.017
local terms energy: -71.634702
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -105.405352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.405352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.405352 (E_RNA)
where:
Base-Base interactions energy: -46.010
where: short stacking energy: -35.674
Base-Backbone interact. energy: -0.056
local terms energy: -59.339159
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -12.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -156.457749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.457749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.457749 (E_RNA)
where:
Base-Base interactions energy: -98.007
where: short stacking energy: -36.913
Base-Backbone interact. energy: -0.067
local terms energy: -58.383979
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -99.961215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.961215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.961215 (E_RNA)
where:
Base-Base interactions energy: -52.661
where: short stacking energy: -28.755
Base-Backbone interact. energy: -0.526
local terms energy: -46.774033
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -94.035138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.035138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.035138 (E_RNA)
where:
Base-Base interactions energy: -44.125
where: short stacking energy: -29.052
Base-Backbone interact. energy: -0.325
local terms energy: -49.585957
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -72.885268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.885268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.885268 (E_RNA)
where:
Base-Base interactions energy: -35.084
where: short stacking energy: -16.450
Base-Backbone interact. energy: -0.347
local terms energy: -37.454658
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -6.415
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: 5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -78.203990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.203990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.203990 (E_RNA)
where:
Base-Base interactions energy: -30.480
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.156
local terms energy: -47.567654
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -2.429
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -211.645170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.645170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.645170 (E_RNA)
where:
Base-Base interactions energy: -146.209
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.163
local terms energy: -65.273144
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -234.533741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.533741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.533741 (E_RNA)
where:
Base-Base interactions energy: -156.871
where: short stacking energy: -79.821
Base-Backbone interact. energy: -0.009
local terms energy: -77.652966
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -218.399579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.399579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.399579 (E_RNA)
where:
Base-Base interactions energy: -141.769
where: short stacking energy: -67.454
Base-Backbone interact. energy: -0.053
local terms energy: -76.577595
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.058
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: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -207.303898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.303898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.303898 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -61.591
Base-Backbone interact. energy: 0.004
local terms energy: -65.246598
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -99.951755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.951755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.951755 (E_RNA)
where:
Base-Base interactions energy: -38.493
where: short stacking energy: -38.493
Base-Backbone interact. energy: -0.052
local terms energy: -61.407581
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -156.942420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.942420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.942420 (E_RNA)
where:
Base-Base interactions energy: -87.248
where: short stacking energy: -46.614
Base-Backbone interact. energy: -0.025
local terms energy: -69.668792
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -12.764
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: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -87.109248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.109248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.109248 (E_RNA)
where:
Base-Base interactions energy: -33.853
where: short stacking energy: -33.853
Base-Backbone interact. energy: -0.188
local terms energy: -53.068263
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -86.212956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.212956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.212956 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -20.924
Base-Backbone interact. energy: -0.013
local terms energy: -47.059718
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -4.405
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: 9, replica: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -75.315942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.315942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.315942 (E_RNA)
where:
Base-Base interactions energy: -29.514
where: short stacking energy: -28.812
Base-Backbone interact. energy: 0.494
local terms energy: -46.296117
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -77.924345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.924345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.924345 (E_RNA)
where:
Base-Base interactions energy: -25.953
where: short stacking energy: -25.953
Base-Backbone interact. energy: -0.172
local terms energy: -51.799977
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -7.990
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: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -228.556097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.556097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.556097 (E_RNA)
where:
Base-Base interactions energy: -148.029
where: short stacking energy: -73.038
Base-Backbone interact. energy: -0.902
local terms energy: -79.624547
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -209.975623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.975623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.975623 (E_RNA)
where:
Base-Base interactions energy: -143.552
where: short stacking energy: -60.146
Base-Backbone interact. energy: -0.119
local terms energy: -66.303822
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.705
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: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -208.409617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.409617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.409617 (E_RNA)
where:
Base-Base interactions energy: -138.858
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.030
local terms energy: -69.521500
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -19.557
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: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -207.885453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.885453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.885453 (E_RNA)
where:
Base-Base interactions energy: -139.514
where: short stacking energy: -52.749
Base-Backbone interact. energy: -0.139
local terms energy: -68.232334
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -163.965324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.965324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.965324 (E_RNA)
where:
Base-Base interactions energy: -109.111
where: short stacking energy: -54.260
Base-Backbone interact. energy: -0.734
local terms energy: -54.120263
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -109.264141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.264141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.264141 (E_RNA)
where:
Base-Base interactions energy: -51.948
where: short stacking energy: -52.348
Base-Backbone interact. energy: -0.105
local terms energy: -57.211093
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -94.713648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.713648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.713648 (E_RNA)
where:
Base-Base interactions energy: -37.632
where: short stacking energy: -27.885
Base-Backbone interact. energy: -0.561
local terms energy: -56.520879
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -11.200
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: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -94.068641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.068641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.068641 (E_RNA)
where:
Base-Base interactions energy: -46.885
where: short stacking energy: -28.262
Base-Backbone interact. energy: -0.090
local terms energy: -47.093659
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -6.171
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: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -89.442545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.442545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.442545 (E_RNA)
where:
Base-Base interactions energy: -43.838
where: short stacking energy: -19.560
Base-Backbone interact. energy: 0.490
local terms energy: -46.094053
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: 2.520
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: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -76.163805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163805 (E_RNA)
where:
Base-Base interactions energy: -30.539
where: short stacking energy: -27.035
Base-Backbone interact. energy: -0.121
local terms energy: -45.502993
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -221.369967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.369967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.369967 (E_RNA)
where:
Base-Base interactions energy: -144.126
where: short stacking energy: -65.899
Base-Backbone interact. energy: -0.616
local terms energy: -76.628452
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -222.867466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.867466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.867466 (E_RNA)
where:
Base-Base interactions energy: -148.906
where: short stacking energy: -65.208
Base-Backbone interact. energy: -0.146
local terms energy: -73.815210
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -16.029
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: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -228.709363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.709363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.709363 (E_RNA)
where:
Base-Base interactions energy: -150.001
where: short stacking energy: -74.829
Base-Backbone interact. energy: -0.075
local terms energy: -78.633995
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -215.459993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.459993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.459993 (E_RNA)
where:
Base-Base interactions energy: -140.814
where: short stacking energy: -72.964
Base-Backbone interact. energy: -0.001
local terms energy: -74.645072
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -11.632
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: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -176.938269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.938269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.938269 (E_RNA)
where:
Base-Base interactions energy: -105.213
where: short stacking energy: -53.019
Base-Backbone interact. energy: -0.734
local terms energy: -70.990992
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -13.586
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: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -97.705252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.705252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.705252 (E_RNA)
where:
Base-Base interactions energy: -40.437
where: short stacking energy: -36.099
Base-Backbone interact. energy: -0.180
local terms energy: -57.088475
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -102.837467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.837467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.837467 (E_RNA)
where:
Base-Base interactions energy: -45.049
where: short stacking energy: -44.829
Base-Backbone interact. energy: 0.151
local terms energy: -57.939952
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -10.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -92.937081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.937081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.937081 (E_RNA)
where:
Base-Base interactions energy: -38.999
where: short stacking energy: -21.484
Base-Backbone interact. energy: -1.607
local terms energy: -52.330785
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: 3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -85.740259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.740259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.740259 (E_RNA)
where:
Base-Base interactions energy: -35.013
where: short stacking energy: -35.013
Base-Backbone interact. energy: 1.859
local terms energy: -52.586148
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -73.708554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.708554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.708554 (E_RNA)
where:
Base-Base interactions energy: -31.670
where: short stacking energy: -26.286
Base-Backbone interact. energy: 0.210
local terms energy: -42.248706
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -8.320
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -223.711713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.711713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.711713 (E_RNA)
where:
Base-Base interactions energy: -145.149
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.782
local terms energy: -77.780871
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -20.451
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: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -212.005900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.005900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.005900 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -55.916
Base-Backbone interact. energy: -1.537
local terms energy: -56.709972
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -215.903334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.903334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.903334 (E_RNA)
where:
Base-Base interactions energy: -144.686
where: short stacking energy: -57.168
Base-Backbone interact. energy: -0.262
local terms energy: -70.955325
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -8.813
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: 4, replica: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -205.643260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.643260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.643260 (E_RNA)
where:
Base-Base interactions energy: -131.229
where: short stacking energy: -63.820
Base-Backbone interact. energy: -0.024
local terms energy: -74.390393
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -157.169244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.169244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.169244 (E_RNA)
where:
Base-Base interactions energy: -97.575
where: short stacking energy: -52.552
Base-Backbone interact. energy: 0.828
local terms energy: -60.422415
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -13.164
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: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -95.369933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.369933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.369933 (E_RNA)
where:
Base-Base interactions energy: -39.245
where: short stacking energy: -35.036
Base-Backbone interact. energy: -0.646
local terms energy: -55.479130
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -7.694
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: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -92.455090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.455090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.455090 (E_RNA)
where:
Base-Base interactions energy: -41.578
where: short stacking energy: -36.212
Base-Backbone interact. energy: -0.069
local terms energy: -50.808061
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -91.236153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.236153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.236153 (E_RNA)
where:
Base-Base interactions energy: -37.158
where: short stacking energy: -30.098
Base-Backbone interact. energy: -0.070
local terms energy: -54.008469
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -80.078958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.078958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.078958 (E_RNA)
where:
Base-Base interactions energy: -28.068
where: short stacking energy: -27.589
Base-Backbone interact. energy: -0.256
local terms energy: -51.754901
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -78.360764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.360764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.360764 (E_RNA)
where:
Base-Base interactions energy: -38.946
where: short stacking energy: -14.933
Base-Backbone interact. energy: -0.420
local terms energy: -38.994454
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -4.044
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: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -221.854021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.854021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.854021 (E_RNA)
where:
Base-Base interactions energy: -148.507
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.269
local terms energy: -73.078228
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -7.880
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: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -211.088729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.088729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.088729 (E_RNA)
where:
Base-Base interactions energy: -139.682
where: short stacking energy: -64.052
Base-Backbone interact. energy: -0.685
local terms energy: -70.721815
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -7.744
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: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -206.489852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.489852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.489852 (E_RNA)
where:
Base-Base interactions energy: -137.341
where: short stacking energy: -59.353
Base-Backbone interact. energy: -0.008
local terms energy: -69.141152
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -206.055223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.055223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.055223 (E_RNA)
where:
Base-Base interactions energy: -136.593
where: short stacking energy: -67.587
Base-Backbone interact. energy: -0.014
local terms energy: -69.447988
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -19.452
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: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -196.392573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.392573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.392573 (E_RNA)
where:
Base-Base interactions energy: -122.400
where: short stacking energy: -69.467
Base-Backbone interact. energy: -0.053
local terms energy: -73.939266
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -21.529
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: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -104.805761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.805761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.805761 (E_RNA)
where:
Base-Base interactions energy: -49.718
where: short stacking energy: -21.722
Base-Backbone interact. energy: -1.326
local terms energy: -53.761571
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -91.494605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.494605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.494605 (E_RNA)
where:
Base-Base interactions energy: -41.857
where: short stacking energy: -40.942
Base-Backbone interact. energy: -0.124
local terms energy: -49.513488
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -9.387
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: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -91.604928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.604928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.604928 (E_RNA)
where:
Base-Base interactions energy: -30.552
where: short stacking energy: -26.271
Base-Backbone interact. energy: -0.232
local terms energy: -60.821028
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -88.344419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.344419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.344419 (E_RNA)
where:
Base-Base interactions energy: -31.740
where: short stacking energy: -26.594
Base-Backbone interact. energy: -0.219
local terms energy: -56.385737
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -80.186574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.186574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.186574 (E_RNA)
where:
Base-Base interactions energy: -30.151
where: short stacking energy: -18.766
Base-Backbone interact. energy: 0.475
local terms energy: -50.510669
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -223.466131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.466131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.466131 (E_RNA)
where:
Base-Base interactions energy: -144.274
where: short stacking energy: -68.741
Base-Backbone interact. energy: -0.001
local terms energy: -79.191014
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -11.744
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: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -218.962884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.962884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.962884 (E_RNA)
where:
Base-Base interactions energy: -149.978
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.971
local terms energy: -68.013850
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -6.138
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: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -205.596563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.596563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.596563 (E_RNA)
where:
Base-Base interactions energy: -133.918
where: short stacking energy: -50.357
Base-Backbone interact. energy: -0.692
local terms energy: -70.986183
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -14.281
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: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -206.665319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.665319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.665319 (E_RNA)
where:
Base-Base interactions energy: -136.995
where: short stacking energy: -59.932
Base-Backbone interact. energy: -1.170
local terms energy: -68.499906
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -174.242968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.242968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.242968 (E_RNA)
where:
Base-Base interactions energy: -108.966
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.004
local terms energy: -65.272447
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -85.442260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.442260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.442260 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -34.079
Base-Backbone interact. energy: -0.004
local terms energy: -51.234708
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -9.154
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: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -141.910639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.910639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.910639 (E_RNA)
where:
Base-Base interactions energy: -88.615
where: short stacking energy: -51.418
Base-Backbone interact. energy: -0.267
local terms energy: -53.027772
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -8.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -94.629431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.629431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.629431 (E_RNA)
where:
Base-Base interactions energy: -39.914
where: short stacking energy: -24.367
Base-Backbone interact. energy: -0.280
local terms energy: -54.435076
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -78.775311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.775311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.775311 (E_RNA)
where:
Base-Base interactions energy: -41.370
where: short stacking energy: -38.372
Base-Backbone interact. energy: -0.208
local terms energy: -37.197131
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -6.265
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -87.219721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.219721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.219721 (E_RNA)
where:
Base-Base interactions energy: -26.803
where: short stacking energy: -26.803
Base-Backbone interact. energy: -0.569
local terms energy: -59.848261
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -229.261397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.261397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.261397 (E_RNA)
where:
Base-Base interactions energy: -149.366
where: short stacking energy: -61.551
Base-Backbone interact. energy: -0.010
local terms energy: -79.884681
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -212.860934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.860934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.860934 (E_RNA)
where:
Base-Base interactions energy: -138.520
where: short stacking energy: -56.002
Base-Backbone interact. energy: 0.286
local terms energy: -74.626343
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -215.853862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.853862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.853862 (E_RNA)
where:
Base-Base interactions energy: -143.625
where: short stacking energy: -69.534
Base-Backbone interact. energy: -0.000
local terms energy: -72.228373
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -18.472
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: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -218.196666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.196666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.196666 (E_RNA)
where:
Base-Base interactions energy: -139.704
where: short stacking energy: -67.844
Base-Backbone interact. energy: -0.052
local terms energy: -78.440704
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -10.723
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: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -142.634279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.634279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.634279 (E_RNA)
where:
Base-Base interactions energy: -83.003
where: short stacking energy: -39.806
Base-Backbone interact. energy: -0.339
local terms energy: -59.291899
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -143.144904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.144904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.144904 (E_RNA)
where:
Base-Base interactions energy: -82.233
where: short stacking energy: -38.001
Base-Backbone interact. energy: -0.250
local terms energy: -60.661806
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -86.707816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.707816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.707816 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -29.246
Base-Backbone interact. energy: -1.119
local terms energy: -51.319283
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: 1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -83.315183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.315183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.315183 (E_RNA)
where:
Base-Base interactions energy: -26.041
where: short stacking energy: -25.672
Base-Backbone interact. energy: -0.039
local terms energy: -57.235381
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -81.527382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.527382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.527382 (E_RNA)
where:
Base-Base interactions energy: -39.317
where: short stacking energy: -24.240
Base-Backbone interact. energy: -0.467
local terms energy: -41.743440
where:
bonds (distance) C4'-P energy: -8.038
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -78.964619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.964619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.964619 (E_RNA)
where:
Base-Base interactions energy: -31.680
where: short stacking energy: -31.680
Base-Backbone interact. energy: -0.301
local terms energy: -46.983085
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -220.546407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.546407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.546407 (E_RNA)
where:
Base-Base interactions energy: -151.747
where: short stacking energy: -60.508
Base-Backbone interact. energy: -1.254
local terms energy: -67.545366
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -224.398727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.398727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.398727 (E_RNA)
where:
Base-Base interactions energy: -146.326
where: short stacking energy: -66.974
Base-Backbone interact. energy: -0.091
local terms energy: -77.982202
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -221.535888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.535888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.535888 (E_RNA)
where:
Base-Base interactions energy: -148.762
where: short stacking energy: -72.889
Base-Backbone interact. energy: -0.222
local terms energy: -72.552267
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -221.704917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.704917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.704917 (E_RNA)
where:
Base-Base interactions energy: -139.651
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.017
local terms energy: -82.036821
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -12.027
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: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -148.203571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.203571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.203571 (E_RNA)
where:
Base-Base interactions energy: -88.273
where: short stacking energy: -53.420
Base-Backbone interact. energy: -0.035
local terms energy: -59.895675
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -12.021
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: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -175.389354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.389354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.389354 (E_RNA)
where:
Base-Base interactions energy: -100.892
where: short stacking energy: -59.956
Base-Backbone interact. energy: -1.396
local terms energy: -73.100906
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -7.820
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: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -110.100905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.100905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.100905 (E_RNA)
where:
Base-Base interactions energy: -50.065
where: short stacking energy: -34.299
Base-Backbone interact. energy: 1.250
local terms energy: -61.286069
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -83.075754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.075754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.075754 (E_RNA)
where:
Base-Base interactions energy: -29.342
where: short stacking energy: -29.342
Base-Backbone interact. energy: -0.233
local terms energy: -53.500883
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -1.300
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: 226
Temperature: 1.300000
Total energy: -69.977520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.977520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.977520 (E_RNA)
where:
Base-Base interactions energy: -26.750
where: short stacking energy: -20.479
Base-Backbone interact. energy: -0.088
local terms energy: -43.138878
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: 1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -81.037991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.037991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.037991 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -25.736
Base-Backbone interact. energy: -0.803
local terms energy: -47.907647
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -9.719
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: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -214.978448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.978448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.978448 (E_RNA)
where:
Base-Base interactions energy: -148.463
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.183
local terms energy: -66.332190
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -218.173382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.173382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.173382 (E_RNA)
where:
Base-Base interactions energy: -154.468
where: short stacking energy: -67.448
Base-Backbone interact. energy: -0.133
local terms energy: -63.572354
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -219.424407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.424407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.424407 (E_RNA)
where:
Base-Base interactions energy: -141.594
where: short stacking energy: -64.850
Base-Backbone interact. energy: -0.010
local terms energy: -77.820651
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -212.347723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.347723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.347723 (E_RNA)
where:
Base-Base interactions energy: -140.427
where: short stacking energy: -73.396
Base-Backbone interact. energy: -0.094
local terms energy: -71.826826
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -15.584
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: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -152.967380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.967380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.967380 (E_RNA)
where:
Base-Base interactions energy: -93.874
where: short stacking energy: -49.670
Base-Backbone interact. energy: -0.911
local terms energy: -58.182308
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -7.648
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: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -97.799275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.799275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.799275 (E_RNA)
where:
Base-Base interactions energy: -42.211
where: short stacking energy: -42.211
Base-Backbone interact. energy: -0.080
local terms energy: -55.508277
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -10.058
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: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -138.408173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.408173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.408173 (E_RNA)
where:
Base-Base interactions energy: -84.382
where: short stacking energy: -42.065
Base-Backbone interact. energy: -0.013
local terms energy: -54.013251
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -94.554635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.554635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.554635 (E_RNA)
where:
Base-Base interactions energy: -40.808
where: short stacking energy: -40.808
Base-Backbone interact. energy: -0.778
local terms energy: -52.968307
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -76.595534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.595534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.595534 (E_RNA)
where:
Base-Base interactions energy: -37.195
where: short stacking energy: -37.195
Base-Backbone interact. energy: -0.336
local terms energy: -39.064113
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -3.293
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -85.243047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.243047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.243047 (E_RNA)
where:
Base-Base interactions energy: -39.119
where: short stacking energy: -23.468
Base-Backbone interact. energy: -1.131
local terms energy: -44.992728
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -222.941045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.941045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.941045 (E_RNA)
where:
Base-Base interactions energy: -145.092
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.003
local terms energy: -77.845791
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -20.622
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -215.127435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.127435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.127435 (E_RNA)
where:
Base-Base interactions energy: -144.781
where: short stacking energy: -47.673
Base-Backbone interact. energy: -0.165
local terms energy: -70.182029
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -14.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -217.599849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.599849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.599849 (E_RNA)
where:
Base-Base interactions energy: -142.549
where: short stacking energy: -71.497
Base-Backbone interact. energy: -0.007
local terms energy: -75.043675
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -206.817839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.817839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.817839 (E_RNA)
where:
Base-Base interactions energy: -139.066
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.051
local terms energy: -67.700245
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -8.511
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -11.655
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: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -156.200018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.200018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.200018 (E_RNA)
where:
Base-Base interactions energy: -97.231
where: short stacking energy: -53.188
Base-Backbone interact. energy: -0.127
local terms energy: -58.841594
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -11.776
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: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -96.721045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.721045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.721045 (E_RNA)
where:
Base-Base interactions energy: -43.686
where: short stacking energy: -33.857
Base-Backbone interact. energy: 0.280
local terms energy: -53.315972
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -135.948844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.948844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.948844 (E_RNA)
where:
Base-Base interactions energy: -91.186
where: short stacking energy: -46.721
Base-Backbone interact. energy: -0.066
local terms energy: -44.697048
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -8.049
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -94.099568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.099568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.099568 (E_RNA)
where:
Base-Base interactions energy: -42.455
where: short stacking energy: -35.421
Base-Backbone interact. energy: -0.113
local terms energy: -51.531960
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -9.324
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: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -135.710398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.710398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.710398 (E_RNA)
where:
Base-Base interactions energy: -85.639
where: short stacking energy: -40.056
Base-Backbone interact. energy: -0.831
local terms energy: -49.240517
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -6.158
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -7.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -92.155224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.155224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.155224 (E_RNA)
where:
Base-Base interactions energy: -40.834
where: short stacking energy: -36.847
Base-Backbone interact. energy: 0.574
local terms energy: -51.895711
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -8.055
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: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -226.093685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.093685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.093685 (E_RNA)
where:
Base-Base interactions energy: -151.413
where: short stacking energy: -64.045
Base-Backbone interact. energy: -0.401
local terms energy: -74.279684
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -219.919740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.919740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.919740 (E_RNA)
where:
Base-Base interactions energy: -141.595
where: short stacking energy: -66.198
Base-Backbone interact. energy: -1.213
local terms energy: -77.112174
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -19.022
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: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -214.077445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.077445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.077445 (E_RNA)
where:
Base-Base interactions energy: -141.684
where: short stacking energy: -67.613
Base-Backbone interact. energy: -0.018
local terms energy: -72.375828
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -216.633413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.633413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.633413 (E_RNA)
where:
Base-Base interactions energy: -139.342
where: short stacking energy: -66.284
Base-Backbone interact. energy: -0.440
local terms energy: -76.851621
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -173.908805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.908805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.908805 (E_RNA)
where:
Base-Base interactions energy: -103.671
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.200
local terms energy: -70.038056
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -154.994772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.994772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.994772 (E_RNA)
where:
Base-Base interactions energy: -89.112
where: short stacking energy: -42.068
Base-Backbone interact. energy: -0.271
local terms energy: -65.612463
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -134.737326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.737326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.737326 (E_RNA)
where:
Base-Base interactions energy: -78.964
where: short stacking energy: -37.328
Base-Backbone interact. energy: -0.647
local terms energy: -55.126248
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -88.490745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.490745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.490745 (E_RNA)
where:
Base-Base interactions energy: -33.919
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.286
local terms energy: -54.285458
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -92.582355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.582355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.582355 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.374
local terms energy: -51.995155
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -3.473
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: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -75.312094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.312094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.312094 (E_RNA)
where:
Base-Base interactions energy: -33.108
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.245
local terms energy: -41.958823
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -8.029
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -223.349127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.349127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.349127 (E_RNA)
where:
Base-Base interactions energy: -144.386
where: short stacking energy: -64.620
Base-Backbone interact. energy: -0.008
local terms energy: -78.955079
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -224.315068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.315068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.315068 (E_RNA)
where:
Base-Base interactions energy: -149.123
where: short stacking energy: -71.131
Base-Backbone interact. energy: -0.079
local terms energy: -75.112817
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -221.977516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.977516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.977516 (E_RNA)
where:
Base-Base interactions energy: -143.865
where: short stacking energy: -69.664
Base-Backbone interact. energy: -0.032
local terms energy: -78.080742
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -207.121776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.121776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.121776 (E_RNA)
where:
Base-Base interactions energy: -135.066
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.293
local terms energy: -71.762647
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -142.886518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.886518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.886518 (E_RNA)
where:
Base-Base interactions energy: -85.483
where: short stacking energy: -49.625
Base-Backbone interact. energy: -0.471
local terms energy: -56.932488
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -157.633535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.633535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.633535 (E_RNA)
where:
Base-Base interactions energy: -96.688
where: short stacking energy: -47.329
Base-Backbone interact. energy: -0.292
local terms energy: -60.653544
where:
bonds (distance) C4'-P energy: -5.972
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -12.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -139.271278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.271278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.271278 (E_RNA)
where:
Base-Base interactions energy: -82.982
where: short stacking energy: -40.156
Base-Backbone interact. energy: -0.040
local terms energy: -56.249020
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -79.163766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.163766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.163766 (E_RNA)
where:
Base-Base interactions energy: -29.910
where: short stacking energy: -29.910
Base-Backbone interact. energy: -0.228
local terms energy: -49.025767
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -79.262803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.262803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.262803 (E_RNA)
where:
Base-Base interactions energy: -29.129
where: short stacking energy: -15.121
Base-Backbone interact. energy: -0.232
local terms energy: -49.902069
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -78.493983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.493983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.493983 (E_RNA)
where:
Base-Base interactions energy: -28.143
where: short stacking energy: -28.143
Base-Backbone interact. energy: -0.404
local terms energy: -49.947897
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -2.361
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -227.072458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.072458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.072458 (E_RNA)
where:
Base-Base interactions energy: -149.547
where: short stacking energy: -60.329
Base-Backbone interact. energy: -1.180
local terms energy: -76.345098
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -21.642
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: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -217.763925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.763925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.763925 (E_RNA)
where:
Base-Base interactions energy: -143.145
where: short stacking energy: -67.530
Base-Backbone interact. energy: -0.078
local terms energy: -74.541325
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -217.270148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.270148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.270148 (E_RNA)
where:
Base-Base interactions energy: -139.584
where: short stacking energy: -68.624
Base-Backbone interact. energy: -0.014
local terms energy: -77.672251
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -206.663353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.663353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.663353 (E_RNA)
where:
Base-Base interactions energy: -131.921
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.621
local terms energy: -74.121820
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -151.240166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.240166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.240166 (E_RNA)
where:
Base-Base interactions energy: -93.778
where: short stacking energy: -47.953
Base-Backbone interact. energy: -1.208
local terms energy: -56.253698
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -7.266
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: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -117.446751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.446751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.446751 (E_RNA)
where:
Base-Base interactions energy: -73.461
where: short stacking energy: -31.778
Base-Backbone interact. energy: -0.193
local terms energy: -43.792794
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -6.501
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -155.289812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.289812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.289812 (E_RNA)
where:
Base-Base interactions energy: -99.810
where: short stacking energy: -44.725
Base-Backbone interact. energy: -0.496
local terms energy: -54.984635
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -88.436349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.436349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.436349 (E_RNA)
where:
Base-Base interactions energy: -36.082
where: short stacking energy: -35.557
Base-Backbone interact. energy: -0.765
local terms energy: -51.589515
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -92.302128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.302128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.302128 (E_RNA)
where:
Base-Base interactions energy: -40.813
where: short stacking energy: -28.137
Base-Backbone interact. energy: -0.208
local terms energy: -51.281610
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -80.870573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.870573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.870573 (E_RNA)
where:
Base-Base interactions energy: -30.904
where: short stacking energy: -30.904
Base-Backbone interact. energy: -0.057
local terms energy: -49.909540
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -7.622
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: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -224.826426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.826426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.826426 (E_RNA)
where:
Base-Base interactions energy: -150.640
where: short stacking energy: -71.527
Base-Backbone interact. energy: -0.014
local terms energy: -74.172577
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -215.192830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.192830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.192830 (E_RNA)
where:
Base-Base interactions energy: -146.098
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.363
local terms energy: -68.731769
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -211.481900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.481900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.481900 (E_RNA)
where:
Base-Base interactions energy: -141.896
where: short stacking energy: -65.490
Base-Backbone interact. energy: -0.419
local terms energy: -69.167067
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.955
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: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -209.566178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.566178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.566178 (E_RNA)
where:
Base-Base interactions energy: -138.591
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.178
local terms energy: -70.797099
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -156.590448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.590448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.590448 (E_RNA)
where:
Base-Base interactions energy: -96.396
where: short stacking energy: -50.655
Base-Backbone interact. energy: 0.612
local terms energy: -60.806596
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -6.852
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: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -118.744556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.744556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.744556 (E_RNA)
where:
Base-Base interactions energy: -71.134
where: short stacking energy: -38.505
Base-Backbone interact. energy: -0.032
local terms energy: -47.578246
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -9.508
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: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -159.776157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.776157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.776157 (E_RNA)
where:
Base-Base interactions energy: -101.187
where: short stacking energy: -56.261
Base-Backbone interact. energy: -0.177
local terms energy: -58.412132
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -82.053420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.053420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.053420 (E_RNA)
where:
Base-Base interactions energy: -30.396
where: short stacking energy: -24.891
Base-Backbone interact. energy: -0.171
local terms energy: -51.486863
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -7.716
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: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -79.475977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.475977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.475977 (E_RNA)
where:
Base-Base interactions energy: -30.334
where: short stacking energy: -31.346
Base-Backbone interact. energy: -0.218
local terms energy: -48.924007
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: 1.872
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -107.264612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.264612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.264612 (E_RNA)
where:
Base-Base interactions energy: -52.026
where: short stacking energy: -39.941
Base-Backbone interact. energy: -0.567
local terms energy: -54.671356
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -222.972892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.972892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.972892 (E_RNA)
where:
Base-Base interactions energy: -140.606
where: short stacking energy: -65.952
Base-Backbone interact. energy: -0.100
local terms energy: -82.267246
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -213.053277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.053277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.053277 (E_RNA)
where:
Base-Base interactions energy: -147.207
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.070
local terms energy: -65.776526
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -9.119
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: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -222.488657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.488657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.488657 (E_RNA)
where:
Base-Base interactions energy: -145.120
where: short stacking energy: -69.931
Base-Backbone interact. energy: -0.013
local terms energy: -77.355535
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -11.363
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: 4, replica: 6
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -160.559509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.559509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.559509 (E_RNA)
where:
Base-Base interactions energy: -92.980
where: short stacking energy: -46.285
Base-Backbone interact. energy: -0.632
local terms energy: -66.948083
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -198.446833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.446833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.446833 (E_RNA)
where:
Base-Base interactions energy: -135.524
where: short stacking energy: -53.896
Base-Backbone interact. energy: -0.362
local terms energy: -62.560236
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -157.133230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.133230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.133230 (E_RNA)
where:
Base-Base interactions energy: -94.274
where: short stacking energy: -38.523
Base-Backbone interact. energy: -0.261
local terms energy: -62.598771
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -103.051763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.051763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.051763 (E_RNA)
where:
Base-Base interactions energy: -48.224
where: short stacking energy: -42.361
Base-Backbone interact. energy: -0.806
local terms energy: -54.021588
where:
bonds (distance) C4'-P energy: -7.061
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -10.350
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: 233
Temperature: 1.250000
Total energy: -82.113532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.113532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.113532 (E_RNA)
where:
Base-Base interactions energy: -27.442
where: short stacking energy: -27.442
Base-Backbone interact. energy: 0.230
local terms energy: -54.901578
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -85.396242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.396242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.396242 (E_RNA)
where:
Base-Base interactions energy: -40.785
where: short stacking energy: -34.468
Base-Backbone interact. energy: 0.541
local terms energy: -45.152191
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -72.141522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.141522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.141522 (E_RNA)
where:
Base-Base interactions energy: -25.572
where: short stacking energy: -22.219
Base-Backbone interact. energy: -0.202
local terms energy: -46.367288
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -6.982
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -195.123727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.123727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.123727 (E_RNA)
where:
Base-Base interactions energy: -135.817
where: short stacking energy: -47.413
Base-Backbone interact. energy: -0.115
local terms energy: -59.192270
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -7.254
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: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -223.192798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.192798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.192798 (E_RNA)
where:
Base-Base interactions energy: -147.236
where: short stacking energy: -71.383
Base-Backbone interact. energy: -1.475
local terms energy: -74.481617
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -23.009
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: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -211.880728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.880728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.880728 (E_RNA)
where:
Base-Base interactions energy: -131.711
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.090
local terms energy: -80.080190
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -168.455083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.455083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.455083 (E_RNA)
where:
Base-Base interactions energy: -111.629
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.275
local terms energy: -56.551462
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -202.157031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.157031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.157031 (E_RNA)
where:
Base-Base interactions energy: -137.685
where: short stacking energy: -63.320
Base-Backbone interact. energy: -0.187
local terms energy: -64.284371
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -142.733300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.733300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.733300 (E_RNA)
where:
Base-Base interactions energy: -89.396
where: short stacking energy: -41.087
Base-Backbone interact. energy: -0.253
local terms energy: -53.084802
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -124.079407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.079407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.079407 (E_RNA)
where:
Base-Base interactions energy: -60.667
where: short stacking energy: -28.834
Base-Backbone interact. energy: -0.179
local terms energy: -63.233501
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -8.119
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: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -88.434843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.434843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.434843 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -37.069
Base-Backbone interact. energy: -0.122
local terms energy: -48.868270
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -82.699228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.699228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.699228 (E_RNA)
where:
Base-Base interactions energy: -35.598
where: short stacking energy: -29.094
Base-Backbone interact. energy: -0.218
local terms energy: -46.884034
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -8.864
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: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -72.150029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.150029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.150029 (E_RNA)
where:
Base-Base interactions energy: -22.979
where: short stacking energy: -21.291
Base-Backbone interact. energy: -0.103
local terms energy: -49.068324
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -2.333
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -211.292281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.292281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.292281 (E_RNA)
where:
Base-Base interactions energy: -142.387
where: short stacking energy: -53.931
Base-Backbone interact. energy: -0.397
local terms energy: -68.508197
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -219.326186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.326186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.326186 (E_RNA)
where:
Base-Base interactions energy: -145.135
where: short stacking energy: -66.975
Base-Backbone interact. energy: -0.019
local terms energy: -74.172793
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -12.224
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: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -213.965402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.965402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.965402 (E_RNA)
where:
Base-Base interactions energy: -134.702
where: short stacking energy: -56.037
Base-Backbone interact. energy: -1.436
local terms energy: -77.827118
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -209.899913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.899913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.899913 (E_RNA)
where:
Base-Base interactions energy: -140.688
where: short stacking energy: -73.689
Base-Backbone interact. energy: -0.002
local terms energy: -69.210497
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -152.659836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.659836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.659836 (E_RNA)
where:
Base-Base interactions energy: -84.533
where: short stacking energy: -49.577
Base-Backbone interact. energy: -0.148
local terms energy: -67.978821
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -145.837680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.837680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.837680 (E_RNA)
where:
Base-Base interactions energy: -85.093
where: short stacking energy: -50.114
Base-Backbone interact. energy: -0.009
local terms energy: -60.735694
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -167.121443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.121443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.121443 (E_RNA)
where:
Base-Base interactions energy: -102.771
where: short stacking energy: -55.075
Base-Backbone interact. energy: -0.172
local terms energy: -64.178498
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -86.109534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.109534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.109534 (E_RNA)
where:
Base-Base interactions energy: -30.467
where: short stacking energy: -30.467
Base-Backbone interact. energy: -0.034
local terms energy: -55.608831
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -2.035
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: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -82.905275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.905275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.905275 (E_RNA)
where:
Base-Base interactions energy: -29.844
where: short stacking energy: -18.512
Base-Backbone interact. energy: -0.031
local terms energy: -53.029578
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -84.120641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.120641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.120641 (E_RNA)
where:
Base-Base interactions energy: -30.540
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.006
local terms energy: -53.574133
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -4.749
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: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -226.594235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.594235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.594235 (E_RNA)
where:
Base-Base interactions energy: -144.333
where: short stacking energy: -67.780
Base-Backbone interact. energy: -0.047
local terms energy: -82.213801
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -23.927
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: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -206.636797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.636797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.636797 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -50.357
Base-Backbone interact. energy: -0.188
local terms energy: -62.342962
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.228
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: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -201.363095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.363095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.363095 (E_RNA)
where:
Base-Base interactions energy: -132.066
where: short stacking energy: -56.562
Base-Backbone interact. energy: -0.002
local terms energy: -69.295457
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -6.125
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: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -209.865666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.865666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.865666 (E_RNA)
where:
Base-Base interactions energy: -140.942
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.085
local terms energy: -68.839069
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -153.282825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.282825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.282825 (E_RNA)
where:
Base-Base interactions energy: -97.429
where: short stacking energy: -38.768
Base-Backbone interact. energy: -0.555
local terms energy: -55.298737
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: 1.355
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -136.414200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.414200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.414200 (E_RNA)
where:
Base-Base interactions energy: -76.340
where: short stacking energy: -43.622
Base-Backbone interact. energy: -0.113
local terms energy: -59.960955
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -146.977503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.977503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.977503 (E_RNA)
where:
Base-Base interactions energy: -94.776
where: short stacking energy: -45.592
Base-Backbone interact. energy: 0.109
local terms energy: -52.310191
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -92.597614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.597614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.597614 (E_RNA)
where:
Base-Base interactions energy: -31.598
where: short stacking energy: -31.569
Base-Backbone interact. energy: -0.127
local terms energy: -60.873213
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -90.598357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.598357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.598357 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.139
local terms energy: -54.510760
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -8.881
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -7.527
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: 236
Temperature: 1.350000
Total energy: -91.146461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.146461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.146461 (E_RNA)
where:
Base-Base interactions energy: -36.308
where: short stacking energy: -23.899
Base-Backbone interact. energy: -0.105
local terms energy: -54.733089
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -224.780960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.780960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.780960 (E_RNA)
where:
Base-Base interactions energy: -144.528
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.988
local terms energy: -79.265784
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -206.345299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.345299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.345299 (E_RNA)
where:
Base-Base interactions energy: -148.228
where: short stacking energy: -50.680
Base-Backbone interact. energy: -0.289
local terms energy: -57.827945
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -210.453576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.453576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.453576 (E_RNA)
where:
Base-Base interactions energy: -140.081
where: short stacking energy: -56.921
Base-Backbone interact. energy: -0.316
local terms energy: -70.057212
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -210.389650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.389650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.389650 (E_RNA)
where:
Base-Base interactions energy: -134.874
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.372
local terms energy: -75.144061
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -21.880
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: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -168.883769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.883769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.883769 (E_RNA)
where:
Base-Base interactions energy: -106.351
where: short stacking energy: -51.910
Base-Backbone interact. energy: -0.457
local terms energy: -62.075129
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.040
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: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -87.504420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.504420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.504420 (E_RNA)
where:
Base-Base interactions energy: -37.216
where: short stacking energy: -37.088
Base-Backbone interact. energy: 0.140
local terms energy: -50.428096
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -7.240
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: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -141.402494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.402494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.402494 (E_RNA)
where:
Base-Base interactions energy: -91.922
where: short stacking energy: -42.908
Base-Backbone interact. energy: -0.300
local terms energy: -49.180771
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -94.618065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.618065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.618065 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -35.640
Base-Backbone interact. energy: -0.012
local terms energy: -53.826285
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -82.558453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.558453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.558453 (E_RNA)
where:
Base-Base interactions energy: -30.953
where: short stacking energy: -30.953
Base-Backbone interact. energy: -1.066
local terms energy: -50.539625
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -106.803478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.803478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.803478 (E_RNA)
where:
Base-Base interactions energy: -58.144
where: short stacking energy: -31.255
Base-Backbone interact. energy: -0.424
local terms energy: -48.235241
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -227.217708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.217708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.217708 (E_RNA)
where:
Base-Base interactions energy: -143.688
where: short stacking energy: -61.781
Base-Backbone interact. energy: -0.482
local terms energy: -83.048077
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -22.826
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: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -205.617841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.617841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.617841 (E_RNA)
where:
Base-Base interactions energy: -140.104
where: short stacking energy: -50.657
Base-Backbone interact. energy: -0.267
local terms energy: -65.247284
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -7.495
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: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -215.793301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.793301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.793301 (E_RNA)
where:
Base-Base interactions energy: -144.510
where: short stacking energy: -54.053
Base-Backbone interact. energy: 0.177
local terms energy: -71.461163
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -201.617375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.617375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.617375 (E_RNA)
where:
Base-Base interactions energy: -130.622
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.516
local terms energy: -70.479566
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -157.521819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.521819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.521819 (E_RNA)
where:
Base-Base interactions energy: -102.770
where: short stacking energy: -48.701
Base-Backbone interact. energy: -0.219
local terms energy: -54.532541
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -88.229914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.229914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.229914 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.084
local terms energy: -48.843198
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -6.615
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: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -104.642116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.642116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.642116 (E_RNA)
where:
Base-Base interactions energy: -61.752
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.305
local terms energy: -42.585402
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -127.632920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.632920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.632920 (E_RNA)
where:
Base-Base interactions energy: -82.569
where: short stacking energy: -24.612
Base-Backbone interact. energy: 1.779
local terms energy: -46.842685
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -2.272
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: 9, replica: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -106.760303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.760303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.760303 (E_RNA)
where:
Base-Base interactions energy: -54.719
where: short stacking energy: -29.372
Base-Backbone interact. energy: -0.170
local terms energy: -51.871625
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -81.270441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.270441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.270441 (E_RNA)
where:
Base-Base interactions energy: -26.811
where: short stacking energy: -26.811
Base-Backbone interact. energy: -0.305
local terms energy: -54.154773
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -227.029261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.029261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.029261 (E_RNA)
where:
Base-Base interactions energy: -143.350
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.068
local terms energy: -83.611649
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -24.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -223.751777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.751777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.751777 (E_RNA)
where:
Base-Base interactions energy: -147.325
where: short stacking energy: -73.706
Base-Backbone interact. energy: -0.017
local terms energy: -76.409612
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -204.152557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.152557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.152557 (E_RNA)
where:
Base-Base interactions energy: -133.863
where: short stacking energy: -50.084
Base-Backbone interact. energy: -0.893
local terms energy: -69.396962
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -206.797246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.797246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.797246 (E_RNA)
where:
Base-Base interactions energy: -137.766
where: short stacking energy: -65.144
Base-Backbone interact. energy: -0.098
local terms energy: -68.933677
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -151.845793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.845793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.845793 (E_RNA)
where:
Base-Base interactions energy: -100.042
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.518
local terms energy: -51.285230
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -101.563962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.563962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.563962 (E_RNA)
where:
Base-Base interactions energy: -52.858
where: short stacking energy: -41.200
Base-Backbone interact. energy: -0.024
local terms energy: -48.682498
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -6.415
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -96.519459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.519459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.519459 (E_RNA)
where:
Base-Base interactions energy: -39.350
where: short stacking energy: -39.350
Base-Backbone interact. energy: -0.233
local terms energy: -56.936312
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -3.263
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -118.227957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.227957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.227957 (E_RNA)
where:
Base-Base interactions energy: -70.050
where: short stacking energy: -27.254
Base-Backbone interact. energy: 2.756
local terms energy: -50.934662
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -88.825207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.825207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.825207 (E_RNA)
where:
Base-Base interactions energy: -28.509
where: short stacking energy: -24.548
Base-Backbone interact. energy: -0.082
local terms energy: -60.233756
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -12.606
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: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -65.884343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.884343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.884343 (E_RNA)
where:
Base-Base interactions energy: -21.613
where: short stacking energy: -17.985
Base-Backbone interact. energy: -1.175
local terms energy: -43.096211
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -224.857518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.857518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.857518 (E_RNA)
where:
Base-Base interactions energy: -146.453
where: short stacking energy: -60.706
Base-Backbone interact. energy: -1.680
local terms energy: -76.724089
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -216.438172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.438172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.438172 (E_RNA)
where:
Base-Base interactions energy: -149.253
where: short stacking energy: -61.863
Base-Backbone interact. energy: 0.209
local terms energy: -67.393648
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -19.668
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: 240
Temperature: 1.000000
Total energy: -200.030132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.030132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.030132 (E_RNA)
where:
Base-Base interactions energy: -136.714
where: short stacking energy: -48.876
Base-Backbone interact. energy: -0.171
local terms energy: -63.145046
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -8.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -202.361394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.361394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.361394 (E_RNA)
where:
Base-Base interactions energy: -133.992
where: short stacking energy: -52.084
Base-Backbone interact. energy: -0.069
local terms energy: -68.300706
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -158.071492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.071492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.071492 (E_RNA)
where:
Base-Base interactions energy: -105.160
where: short stacking energy: -48.950
Base-Backbone interact. energy: 2.230
local terms energy: -55.140993
where:
bonds (distance) C4'-P energy: -7.572
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -91.701828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.701828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.701828 (E_RNA)
where:
Base-Base interactions energy: -44.416
where: short stacking energy: -27.113
Base-Backbone interact. energy: -0.583
local terms energy: -46.703085
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: 2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -156.697669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.697669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.697669 (E_RNA)
where:
Base-Base interactions energy: -92.252
where: short stacking energy: -51.222
Base-Backbone interact. energy: -0.010
local terms energy: -64.435224
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -90.501486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.501486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.501486 (E_RNA)
where:
Base-Base interactions energy: -39.634
where: short stacking energy: -35.460
Base-Backbone interact. energy: -0.044
local terms energy: -50.822773
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -3.801
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: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -78.470178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.470178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.470178 (E_RNA)
where:
Base-Base interactions energy: -26.820
where: short stacking energy: -24.588
Base-Backbone interact. energy: -0.200
local terms energy: -51.450297
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -3.281
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: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -88.844528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.844528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.844528 (E_RNA)
where:
Base-Base interactions energy: -34.376
where: short stacking energy: -34.376
Base-Backbone interact. energy: 0.394
local terms energy: -54.861865
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -223.663356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.663356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.663356 (E_RNA)
where:
Base-Base interactions energy: -142.471
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.376
local terms energy: -80.816158
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -14.609
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: 241
Temperature: 0.950000
Total energy: -215.202123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.202123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.202123 (E_RNA)
where:
Base-Base interactions energy: -146.822
where: short stacking energy: -49.020
Base-Backbone interact. energy: -0.766
local terms energy: -67.614321
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -213.522168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.522168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.522168 (E_RNA)
where:
Base-Base interactions energy: -142.932
where: short stacking energy: -69.140
Base-Backbone interact. energy: -0.169
local terms energy: -70.422026
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -203.399970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.399970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.399970 (E_RNA)
where:
Base-Base interactions energy: -137.271
where: short stacking energy: -48.703
Base-Backbone interact. energy: -1.296
local terms energy: -64.833024
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -11.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -160.733903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.733903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.733903 (E_RNA)
where:
Base-Base interactions energy: -97.979
where: short stacking energy: -49.219
Base-Backbone interact. energy: -0.041
local terms energy: -62.713526
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -99.593836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.593836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.593836 (E_RNA)
where:
Base-Base interactions energy: -40.993
where: short stacking energy: -37.376
Base-Backbone interact. energy: -0.118
local terms energy: -58.483328
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -9.424
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: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -93.313757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.313757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.313757 (E_RNA)
where:
Base-Base interactions energy: -39.249
where: short stacking energy: -39.249
Base-Backbone interact. energy: -0.009
local terms energy: -54.056343
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -6.225
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: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -95.629566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.629566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.629566 (E_RNA)
where:
Base-Base interactions energy: -43.617
where: short stacking energy: -39.378
Base-Backbone interact. energy: -0.143
local terms energy: -51.869703
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -90.833170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.833170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.833170 (E_RNA)
where:
Base-Base interactions energy: -41.544
where: short stacking energy: -39.514
Base-Backbone interact. energy: -0.004
local terms energy: -49.285112
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -72.357371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.357371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.357371 (E_RNA)
where:
Base-Base interactions energy: -23.785
where: short stacking energy: -23.785
Base-Backbone interact. energy: -0.146
local terms energy: -48.426317
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: 2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -223.009337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.009337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.009337 (E_RNA)
where:
Base-Base interactions energy: -143.095
where: short stacking energy: -67.463
Base-Backbone interact. energy: -0.004
local terms energy: -79.910758
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -224.088338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.088338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.088338 (E_RNA)
where:
Base-Base interactions energy: -146.580
where: short stacking energy: -71.057
Base-Backbone interact. energy: -2.286
local terms energy: -75.222005
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.174
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: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -208.511747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.511747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.511747 (E_RNA)
where:
Base-Base interactions energy: -136.909
where: short stacking energy: -51.077
Base-Backbone interact. energy: -0.149
local terms energy: -71.453482
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -214.200091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.200091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.200091 (E_RNA)
where:
Base-Base interactions energy: -139.841
where: short stacking energy: -65.063
Base-Backbone interact. energy: -0.294
local terms energy: -74.065268
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -181.953670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.953670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.953670 (E_RNA)
where:
Base-Base interactions energy: -105.553
where: short stacking energy: -59.127
Base-Backbone interact. energy: -0.034
local terms energy: -76.366405
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -101.403879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.403879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.403879 (E_RNA)
where:
Base-Base interactions energy: -49.116
where: short stacking energy: -43.977
Base-Backbone interact. energy: 0.688
local terms energy: -52.975865
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -100.077804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.077804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.077804 (E_RNA)
where:
Base-Base interactions energy: -41.329
where: short stacking energy: -33.868
Base-Backbone interact. energy: -0.123
local terms energy: -58.626370
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -82.040883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.040883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.040883 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -34.016
Base-Backbone interact. energy: 1.738
local terms energy: -46.243008
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -85.079814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.079814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.079814 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -38.039
Base-Backbone interact. energy: -0.780
local terms energy: -46.260114
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -0.102
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -85.494505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.494505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.494505 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -24.925
Base-Backbone interact. energy: -0.567
local terms energy: -56.533085
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -5.791
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: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -223.243385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.243385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.243385 (E_RNA)
where:
Base-Base interactions energy: -139.916
where: short stacking energy: -77.999
Base-Backbone interact. energy: -0.001
local terms energy: -83.326537
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -222.577716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.577716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.577716 (E_RNA)
where:
Base-Base interactions energy: -152.611
where: short stacking energy: -66.173
Base-Backbone interact. energy: -0.494
local terms energy: -69.473032
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -220.805268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.805268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.805268 (E_RNA)
where:
Base-Base interactions energy: -152.898
where: short stacking energy: -60.040
Base-Backbone interact. energy: -0.910
local terms energy: -66.997276
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -205.709082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.709082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.709082 (E_RNA)
where:
Base-Base interactions energy: -133.543
where: short stacking energy: -58.674
Base-Backbone interact. energy: -0.286
local terms energy: -71.879942
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -165.058151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.058151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.058151 (E_RNA)
where:
Base-Base interactions energy: -105.578
where: short stacking energy: -48.443
Base-Backbone interact. energy: -0.916
local terms energy: -58.563968
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -8.441
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -8.834
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: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -115.077994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.077994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.077994 (E_RNA)
where:
Base-Base interactions energy: -57.627
where: short stacking energy: -36.984
Base-Backbone interact. energy: -0.191
local terms energy: -57.259410
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -95.767727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.767727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.767727 (E_RNA)
where:
Base-Base interactions energy: -34.918
where: short stacking energy: -35.918
Base-Backbone interact. energy: -1.084
local terms energy: -59.765245
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -10.885
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: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -88.183574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.183574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.183574 (E_RNA)
where:
Base-Base interactions energy: -40.097
where: short stacking energy: -34.689
Base-Backbone interact. energy: -0.008
local terms energy: -48.078865
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -86.678416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.678416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.678416 (E_RNA)
where:
Base-Base interactions energy: -34.674
where: short stacking energy: -33.982
Base-Backbone interact. energy: -1.785
local terms energy: -50.219956
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -8.665
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: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -81.376799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.376799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.376799 (E_RNA)
where:
Base-Base interactions energy: -29.620
where: short stacking energy: -20.948
Base-Backbone interact. energy: -0.101
local terms energy: -51.655811
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -223.664041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.664041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.664041 (E_RNA)
where:
Base-Base interactions energy: -153.150
where: short stacking energy: -59.164
Base-Backbone interact. energy: -0.023
local terms energy: -70.491832
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -214.833537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.833537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.833537 (E_RNA)
where:
Base-Base interactions energy: -145.721
where: short stacking energy: -54.947
Base-Backbone interact. energy: -0.564
local terms energy: -68.548088
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -13.312
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: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -210.258943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.258943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.258943 (E_RNA)
where:
Base-Base interactions energy: -144.871
where: short stacking energy: -58.618
Base-Backbone interact. energy: -0.158
local terms energy: -65.229824
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -7.963
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: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -187.252556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.252556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.252556 (E_RNA)
where:
Base-Base interactions energy: -118.814
where: short stacking energy: -47.469
Base-Backbone interact. energy: -0.505
local terms energy: -67.932774
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.496
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: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -152.537889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.537889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.537889 (E_RNA)
where:
Base-Base interactions energy: -93.285
where: short stacking energy: -43.401
Base-Backbone interact. energy: -0.221
local terms energy: -59.032049
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -96.865561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.865561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.865561 (E_RNA)
where:
Base-Base interactions energy: -43.681
where: short stacking energy: -34.557
Base-Backbone interact. energy: 0.081
local terms energy: -53.265654
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -3.634
tors. eta vs tors. theta energy: -9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -103.922610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.922610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.922610 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -44.860
Base-Backbone interact. energy: -0.016
local terms energy: -58.612356
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -87.141831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.141831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.141831 (E_RNA)
where:
Base-Base interactions energy: -30.498
where: short stacking energy: -30.498
Base-Backbone interact. energy: -0.115
local terms energy: -56.528289
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -2.905
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -85.585588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.585588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.585588 (E_RNA)
where:
Base-Base interactions energy: -36.003
where: short stacking energy: -27.438
Base-Backbone interact. energy: 1.766
local terms energy: -51.347742
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -4.977
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: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -81.816538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.816538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.816538 (E_RNA)
where:
Base-Base interactions energy: -30.928
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.206
local terms energy: -50.682207
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -6.745
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: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -216.410337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.410337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.410337 (E_RNA)
where:
Base-Base interactions energy: -139.646
where: short stacking energy: -49.936
Base-Backbone interact. energy: -0.173
local terms energy: -76.591135
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -15.272
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: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -216.529538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.529538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.529538 (E_RNA)
where:
Base-Base interactions energy: -149.915
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.188
local terms energy: -66.426993
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -210.871044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.871044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.871044 (E_RNA)
where:
Base-Base interactions energy: -145.755
where: short stacking energy: -51.503
Base-Backbone interact. energy: -0.962
local terms energy: -64.153403
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -198.257028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.257028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.257028 (E_RNA)
where:
Base-Base interactions energy: -136.756
where: short stacking energy: -58.078
Base-Backbone interact. energy: -0.083
local terms energy: -61.418039
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -161.352955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.352955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.352955 (E_RNA)
where:
Base-Base interactions energy: -92.110
where: short stacking energy: -50.821
Base-Backbone interact. energy: -1.251
local terms energy: -67.991812
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -9.376
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: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -98.421028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.421028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.421028 (E_RNA)
where:
Base-Base interactions energy: -39.662
where: short stacking energy: -39.662
Base-Backbone interact. energy: 1.115
local terms energy: -59.873584
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -92.495623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.495623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.495623 (E_RNA)
where:
Base-Base interactions energy: -37.362
where: short stacking energy: -32.916
Base-Backbone interact. energy: -0.336
local terms energy: -54.797823
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -95.416456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.416456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.416456 (E_RNA)
where:
Base-Base interactions energy: -34.350
where: short stacking energy: -34.350
Base-Backbone interact. energy: -0.102
local terms energy: -60.964523
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -74.422044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.422044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.422044 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -28.306
Base-Backbone interact. energy: -0.029
local terms energy: -44.954657
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: 1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -77.166697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.166697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.166697 (E_RNA)
where:
Base-Base interactions energy: -31.329
where: short stacking energy: -23.550
Base-Backbone interact. energy: -0.118
local terms energy: -45.719110
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -213.325283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.325283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.325283 (E_RNA)
where:
Base-Base interactions energy: -139.909
where: short stacking energy: -63.018
Base-Backbone interact. energy: -0.055
local terms energy: -73.361126
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -218.285993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.285993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.285993 (E_RNA)
where:
Base-Base interactions energy: -141.545
where: short stacking energy: -64.846
Base-Backbone interact. energy: -0.696
local terms energy: -76.045167
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -210.869613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.869613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.869613 (E_RNA)
where:
Base-Base interactions energy: -142.891
where: short stacking energy: -48.886
Base-Backbone interact. energy: -0.683
local terms energy: -67.295590
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -219.149642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.149642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.149642 (E_RNA)
where:
Base-Base interactions energy: -139.125
where: short stacking energy: -65.116
Base-Backbone interact. energy: -0.025
local terms energy: -79.999989
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -175.385782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.385782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.385782 (E_RNA)
where:
Base-Base interactions energy: -118.558
where: short stacking energy: -51.053
Base-Backbone interact. energy: 1.529
local terms energy: -58.355995
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -7.168
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -100.581685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.581685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.581685 (E_RNA)
where:
Base-Base interactions energy: -40.568
where: short stacking energy: -23.289
Base-Backbone interact. energy: -0.401
local terms energy: -59.612562
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -96.663177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.663177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.663177 (E_RNA)
where:
Base-Base interactions energy: -44.153
where: short stacking energy: -34.460
Base-Backbone interact. energy: -0.101
local terms energy: -52.409481
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -93.063872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.063872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.063872 (E_RNA)
where:
Base-Base interactions energy: -31.485
where: short stacking energy: -23.592
Base-Backbone interact. energy: -0.987
local terms energy: -60.591311
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -89.350563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.350563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.350563 (E_RNA)
where:
Base-Base interactions energy: -42.604
where: short stacking energy: -25.175
Base-Backbone interact. energy: -0.068
local terms energy: -46.678316
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -7.863
flat angles P-C4'-P energy: -9.265
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -83.667479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.667479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.667479 (E_RNA)
where:
Base-Base interactions energy: -41.278
where: short stacking energy: -36.546
Base-Backbone interact. energy: -0.088
local terms energy: -42.301838
where:
bonds (distance) C4'-P energy: -7.517
bonds (distance) P-C4' energy: -7.962
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -229.397983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.397983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.397983 (E_RNA)
where:
Base-Base interactions energy: -151.830
where: short stacking energy: -71.106
Base-Backbone interact. energy: -0.153
local terms energy: -77.414754
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -11.912
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: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -215.096782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.096782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.096782 (E_RNA)
where:
Base-Base interactions energy: -144.248
where: short stacking energy: -52.639
Base-Backbone interact. energy: -0.225
local terms energy: -70.623782
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -217.942221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.942221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.942221 (E_RNA)
where:
Base-Base interactions energy: -142.410
where: short stacking energy: -52.968
Base-Backbone interact. energy: -0.211
local terms energy: -75.321461
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -211.078328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.078328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.078328 (E_RNA)
where:
Base-Base interactions energy: -137.638
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.242
local terms energy: -73.198761
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -146.853019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.853019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.853019 (E_RNA)
where:
Base-Base interactions energy: -87.700
where: short stacking energy: -41.510
Base-Backbone interact. energy: -1.555
local terms energy: -57.597099
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -4.303
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: 247
Temperature: 1.150000
Total energy: -101.495069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.495069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.495069 (E_RNA)
where:
Base-Base interactions energy: -43.640
where: short stacking energy: -26.245
Base-Backbone interact. energy: -0.076
local terms energy: -57.778804
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -9.154
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: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -91.940004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.940004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.940004 (E_RNA)
where:
Base-Base interactions energy: -41.015
where: short stacking energy: -36.994
Base-Backbone interact. energy: -0.158
local terms energy: -50.766397
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -88.187793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.187793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.187793 (E_RNA)
where:
Base-Base interactions energy: -32.470
where: short stacking energy: -31.192
Base-Backbone interact. energy: 1.215
local terms energy: -56.933017
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -74.604378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.604378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.604378 (E_RNA)
where:
Base-Base interactions energy: -30.173
where: short stacking energy: -26.618
Base-Backbone interact. energy: -0.282
local terms energy: -44.149754
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -7.002
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: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -72.931406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.931406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.931406 (E_RNA)
where:
Base-Base interactions energy: -33.536
where: short stacking energy: -33.536
Base-Backbone interact. energy: -0.203
local terms energy: -39.192432
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -2.597
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -216.110358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.110358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.110358 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -52.605
Base-Backbone interact. energy: -2.159
local terms energy: -67.425087
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -218.843011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.843011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.843011 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.031
local terms energy: -77.862918
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -218.044141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.044141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.044141 (E_RNA)
where:
Base-Base interactions energy: -136.674
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.003
local terms energy: -81.367883
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -218.034775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.034775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.034775 (E_RNA)
where:
Base-Base interactions energy: -149.366
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.015
local terms energy: -68.652992
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -19.579
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: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -159.373612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.373612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.373612 (E_RNA)
where:
Base-Base interactions energy: -97.631
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.133
local terms energy: -61.609374
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -100.311677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.311677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.311677 (E_RNA)
where:
Base-Base interactions energy: -49.078
where: short stacking energy: -49.078
Base-Backbone interact. energy: -0.027
local terms energy: -51.206732
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -5.774
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -107.657965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.657965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.657965 (E_RNA)
where:
Base-Base interactions energy: -50.778
where: short stacking energy: -36.227
Base-Backbone interact. energy: -1.018
local terms energy: -55.862213
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -2.495
tors. eta vs tors. theta energy: -8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -79.599405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.599405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.599405 (E_RNA)
where:
Base-Base interactions energy: -23.350
where: short stacking energy: -22.284
Base-Backbone interact. energy: -0.233
local terms energy: -56.016408
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.449
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: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -84.367809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.367809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.367809 (E_RNA)
where:
Base-Base interactions energy: -29.592
where: short stacking energy: -29.592
Base-Backbone interact. energy: -0.005
local terms energy: -54.770585
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -85.548017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.548017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.548017 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -20.715
Base-Backbone interact. energy: -0.123
local terms energy: -51.460517
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: 2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -216.952491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.952491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.952491 (E_RNA)
where:
Base-Base interactions energy: -145.870
where: short stacking energy: -54.693
Base-Backbone interact. energy: -1.798
local terms energy: -69.284158
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -218.718071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.718071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.718071 (E_RNA)
where:
Base-Base interactions energy: -145.962
where: short stacking energy: -69.633
Base-Backbone interact. energy: -0.041
local terms energy: -72.715565
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -213.798008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.798008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.798008 (E_RNA)
where:
Base-Base interactions energy: -145.906
where: short stacking energy: -67.425
Base-Backbone interact. energy: -1.152
local terms energy: -66.740515
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -16.933
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: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -176.134712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.134712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.134712 (E_RNA)
where:
Base-Base interactions energy: -106.402
where: short stacking energy: -59.595
Base-Backbone interact. energy: -0.175
local terms energy: -69.557517
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -8.982
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: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -208.113211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.113211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.113211 (E_RNA)
where:
Base-Base interactions energy: -139.868
where: short stacking energy: -60.690
Base-Backbone interact. energy: -0.443
local terms energy: -67.802196
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -9.050
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: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -106.840521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.840521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.840521 (E_RNA)
where:
Base-Base interactions energy: -56.487
where: short stacking energy: -32.874
Base-Backbone interact. energy: -0.095
local terms energy: -50.258578
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -90.457891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.457891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.457891 (E_RNA)
where:
Base-Base interactions energy: -31.011
where: short stacking energy: -29.011
Base-Backbone interact. energy: -0.409
local terms energy: -59.037448
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -79.739316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.739316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.739316 (E_RNA)
where:
Base-Base interactions energy: -25.857
where: short stacking energy: -25.857
Base-Backbone interact. energy: -0.105
local terms energy: -53.776866
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -81.798524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798524 (E_RNA)
where:
Base-Base interactions energy: -28.089
where: short stacking energy: -28.089
Base-Backbone interact. energy: 0.791
local terms energy: -54.500820
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -88.423788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.423788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.423788 (E_RNA)
where:
Base-Base interactions energy: -40.311
where: short stacking energy: -35.699
Base-Backbone interact. energy: -0.083
local terms energy: -48.030092
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -7.126
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -7.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -226.855803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.855803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.855803 (E_RNA)
where:
Base-Base interactions energy: -155.884
where: short stacking energy: -61.943
Base-Backbone interact. energy: -0.378
local terms energy: -70.593666
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -232.412978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.412978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.412978 (E_RNA)
where:
Base-Base interactions energy: -156.763
where: short stacking energy: -62.068
Base-Backbone interact. energy: -1.056
local terms energy: -74.594174
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -213.003075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.003075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.003075 (E_RNA)
where:
Base-Base interactions energy: -146.593
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.065
local terms energy: -66.344996
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -6.858
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: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -170.641971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.641971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.641971 (E_RNA)
where:
Base-Base interactions energy: -104.366
where: short stacking energy: -66.439
Base-Backbone interact. energy: -0.009
local terms energy: -66.266865
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -18.251
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: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -192.341649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.341649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.341649 (E_RNA)
where:
Base-Base interactions energy: -119.568
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.101
local terms energy: -72.672633
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -10.378
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: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -86.036006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.036006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.036006 (E_RNA)
where:
Base-Base interactions energy: -38.428
where: short stacking energy: -38.428
Base-Backbone interact. energy: -0.197
local terms energy: -47.410404
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -88.892175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.892175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.892175 (E_RNA)
where:
Base-Base interactions energy: -41.421
where: short stacking energy: -29.806
Base-Backbone interact. energy: -0.068
local terms energy: -47.403456
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -88.774113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.774113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.774113 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -34.475
Base-Backbone interact. energy: -0.254
local terms energy: -54.045370
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -80.533625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.533625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.533625 (E_RNA)
where:
Base-Base interactions energy: -26.422
where: short stacking energy: -22.842
Base-Backbone interact. energy: -0.133
local terms energy: -53.978458
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -80.171172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.171172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.171172 (E_RNA)
where:
Base-Base interactions energy: -30.146
where: short stacking energy: -30.146
Base-Backbone interact. energy: -0.282
local terms energy: -49.742830
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -227.307544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.307544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.307544 (E_RNA)
where:
Base-Base interactions energy: -146.686
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.017
local terms energy: -80.604403
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -218.601009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.601009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.601009 (E_RNA)
where:
Base-Base interactions energy: -146.372
where: short stacking energy: -67.208
Base-Backbone interact. energy: -0.424
local terms energy: -71.805135
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -209.964202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.964202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.964202 (E_RNA)
where:
Base-Base interactions energy: -144.943
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.760
local terms energy: -64.260615
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -192.267200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.267200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.267200 (E_RNA)
where:
Base-Base interactions energy: -129.713
where: short stacking energy: -64.976
Base-Backbone interact. energy: 0.833
local terms energy: -63.387930
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -166.710842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.710842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.710842 (E_RNA)
where:
Base-Base interactions energy: -98.945
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.207
local terms energy: -67.559294
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -96.879792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.879792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.879792 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -33.232
Base-Backbone interact. energy: -0.034
local terms energy: -63.614206
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -90.661595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.661595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.661595 (E_RNA)
where:
Base-Base interactions energy: -29.512
where: short stacking energy: -29.512
Base-Backbone interact. energy: -0.178
local terms energy: -60.971986
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -3.110
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: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -79.102968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.102968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.102968 (E_RNA)
where:
Base-Base interactions energy: -27.765
where: short stacking energy: -27.715
Base-Backbone interact. energy: -1.034
local terms energy: -50.303173
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: 0.790
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: 9, replica: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -80.336255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.336255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.336255 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -30.992
Base-Backbone interact. energy: -0.282
local terms energy: -46.262944
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -79.171254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.171254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.171254 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.082
local terms energy: -48.743489
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -0.408
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: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -217.890758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.890758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.890758 (E_RNA)
where:
Base-Base interactions energy: -142.163
where: short stacking energy: -66.464
Base-Backbone interact. energy: -1.555
local terms energy: -74.172307
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -19.188
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: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -215.674644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.674644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.674644 (E_RNA)
where:
Base-Base interactions energy: -143.001
where: short stacking energy: -60.218
Base-Backbone interact. energy: -0.604
local terms energy: -72.069674
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -207.864422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.864422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.864422 (E_RNA)
where:
Base-Base interactions energy: -136.217
where: short stacking energy: -68.137
Base-Backbone interact. energy: -0.527
local terms energy: -71.119975
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -195.940152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.940152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.940152 (E_RNA)
where:
Base-Base interactions energy: -127.897
where: short stacking energy: -61.332
Base-Backbone interact. energy: -0.166
local terms energy: -67.877897
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -14.424
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: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -164.899390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.899390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.899390 (E_RNA)
where:
Base-Base interactions energy: -103.895
where: short stacking energy: -46.598
Base-Backbone interact. energy: -0.329
local terms energy: -60.675655
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -100.917183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.917183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.917183 (E_RNA)
where:
Base-Base interactions energy: -48.629
where: short stacking energy: -33.612
Base-Backbone interact. energy: -0.075
local terms energy: -52.212660
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -92.468114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.468114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.468114 (E_RNA)
where:
Base-Base interactions energy: -44.408
where: short stacking energy: -43.521
Base-Backbone interact. energy: -0.006
local terms energy: -48.055064
where:
bonds (distance) C4'-P energy: -6.981
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -82.020467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.020467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.020467 (E_RNA)
where:
Base-Base interactions energy: -30.753
where: short stacking energy: -28.360
Base-Backbone interact. energy: -0.097
local terms energy: -51.169969
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -0.512
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: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -85.798430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.798430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.798430 (E_RNA)
where:
Base-Base interactions energy: -44.751
where: short stacking energy: -24.449
Base-Backbone interact. energy: 0.492
local terms energy: -41.539787
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: 1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -79.228064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.228064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.228064 (E_RNA)
where:
Base-Base interactions energy: -29.580
where: short stacking energy: -29.010
Base-Backbone interact. energy: -1.482
local terms energy: -48.166196
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -3.039
tors. eta vs tors. theta energy: -2.745
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: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -210.910900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.910900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.910900 (E_RNA)
where:
Base-Base interactions energy: -138.714
where: short stacking energy: -66.346
Base-Backbone interact. energy: -0.023
local terms energy: -72.173840
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -211.457057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.457057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.457057 (E_RNA)
where:
Base-Base interactions energy: -138.308
where: short stacking energy: -59.163
Base-Backbone interact. energy: -0.241
local terms energy: -72.908237
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -215.972969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.972969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.972969 (E_RNA)
where:
Base-Base interactions energy: -143.630
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.490
local terms energy: -71.852097
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -180.570132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.570132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.570132 (E_RNA)
where:
Base-Base interactions energy: -114.495
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.295
local terms energy: -65.780906
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -16.633
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: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -168.092518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.092518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.092518 (E_RNA)
where:
Base-Base interactions energy: -105.531
where: short stacking energy: -48.884
Base-Backbone interact. energy: -1.579
local terms energy: -60.982228
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -4.994
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: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -101.079121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.079121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.079121 (E_RNA)
where:
Base-Base interactions energy: -45.379
where: short stacking energy: -45.379
Base-Backbone interact. energy: -0.025
local terms energy: -55.675207
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -9.646
flat angles P-C4'-P energy: -1.796
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -89.375679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.375679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.375679 (E_RNA)
where:
Base-Base interactions energy: -36.383
where: short stacking energy: -31.615
Base-Backbone interact. energy: -0.097
local terms energy: -52.895206
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -96.073313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.073313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.073313 (E_RNA)
where:
Base-Base interactions energy: -41.229
where: short stacking energy: -32.037
Base-Backbone interact. energy: 1.284
local terms energy: -56.128303
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -97.180348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.180348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.180348 (E_RNA)
where:
Base-Base interactions energy: -48.615
where: short stacking energy: -26.265
Base-Backbone interact. energy: 0.198
local terms energy: -48.763289
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -2.957
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: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -73.468020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.468020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.468020 (E_RNA)
where:
Base-Base interactions energy: -26.753
where: short stacking energy: -20.337
Base-Backbone interact. energy: -0.723
local terms energy: -45.991277
where:
bonds (distance) C4'-P energy: -6.982
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -222.768372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.768372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.768372 (E_RNA)
where:
Base-Base interactions energy: -151.050
where: short stacking energy: -72.242
Base-Backbone interact. energy: -0.005
local terms energy: -71.713721
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -216.861878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.861878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.861878 (E_RNA)
where:
Base-Base interactions energy: -141.177
where: short stacking energy: -65.284
Base-Backbone interact. energy: -0.146
local terms energy: -75.539309
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -11.751
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: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -156.892169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.892169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.892169 (E_RNA)
where:
Base-Base interactions energy: -93.494
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.035
local terms energy: -63.363320
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -205.384008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.384008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.384008 (E_RNA)
where:
Base-Base interactions energy: -131.899
where: short stacking energy: -54.318
Base-Backbone interact. energy: -0.327
local terms energy: -73.157951
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -168.803798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.803798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.803798 (E_RNA)
where:
Base-Base interactions energy: -108.602
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.039
local terms energy: -60.161973
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -113.312160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.312160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.312160 (E_RNA)
where:
Base-Base interactions energy: -53.430
where: short stacking energy: -45.484
Base-Backbone interact. energy: -0.032
local terms energy: -59.850130
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -10.831
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: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -105.048611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.048611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.048611 (E_RNA)
where:
Base-Base interactions energy: -40.160
where: short stacking energy: -35.682
Base-Backbone interact. energy: -0.020
local terms energy: -64.868830
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -88.248739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.248739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.248739 (E_RNA)
where:
Base-Base interactions energy: -31.048
where: short stacking energy: -30.655
Base-Backbone interact. energy: -0.270
local terms energy: -56.931048
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -81.269608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.269608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.269608 (E_RNA)
where:
Base-Base interactions energy: -33.260
where: short stacking energy: -33.260
Base-Backbone interact. energy: -0.099
local terms energy: -47.910706
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -71.178293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.178293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.178293 (E_RNA)
where:
Base-Base interactions energy: -26.580
where: short stacking energy: -20.496
Base-Backbone interact. energy: -0.472
local terms energy: -44.126538
where:
bonds (distance) C4'-P energy: -6.461
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: 0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -219.531563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.531563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.531563 (E_RNA)
where:
Base-Base interactions energy: -145.703
where: short stacking energy: -55.344
Base-Backbone interact. energy: -0.552
local terms energy: -73.276940
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -19.286
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: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -221.915387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.915387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.915387 (E_RNA)
where:
Base-Base interactions energy: -146.216
where: short stacking energy: -71.534
Base-Backbone interact. energy: -1.116
local terms energy: -74.583277
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -181.884706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.884706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.884706 (E_RNA)
where:
Base-Base interactions energy: -115.937
where: short stacking energy: -56.128
Base-Backbone interact. energy: -0.045
local terms energy: -65.902938
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -9.258
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: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -218.867052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.867052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.867052 (E_RNA)
where:
Base-Base interactions energy: -148.893
where: short stacking energy: -65.739
Base-Backbone interact. energy: -0.056
local terms energy: -69.918019
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -170.494798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.494798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.494798 (E_RNA)
where:
Base-Base interactions energy: -97.086
where: short stacking energy: -54.423
Base-Backbone interact. energy: -0.219
local terms energy: -73.190595
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -111.591823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.591823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.591823 (E_RNA)
where:
Base-Base interactions energy: -51.760
where: short stacking energy: -42.606
Base-Backbone interact. energy: -1.037
local terms energy: -58.794440
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -91.467130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.467130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.467130 (E_RNA)
where:
Base-Base interactions energy: -33.622
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.026
local terms energy: -57.818747
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -91.090384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.090384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.090384 (E_RNA)
where:
Base-Base interactions energy: -36.981
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.123
local terms energy: -53.986674
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -91.313948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.313948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.313948 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -27.558
Base-Backbone interact. energy: -0.014
local terms energy: -54.077440
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -4.624
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: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -77.470854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.470854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.470854 (E_RNA)
where:
Base-Base interactions energy: -33.983
where: short stacking energy: -23.648
Base-Backbone interact. energy: -0.122
local terms energy: -43.365434
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: 2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -218.687852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.687852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.687852 (E_RNA)
where:
Base-Base interactions energy: -140.280
where: short stacking energy: -58.857
Base-Backbone interact. energy: -0.728
local terms energy: -77.679382
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.700
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: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -221.117860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.117860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.117860 (E_RNA)
where:
Base-Base interactions energy: -147.324
where: short stacking energy: -74.852
Base-Backbone interact. energy: -0.054
local terms energy: -73.740711
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -16.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -216.734736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.734736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.734736 (E_RNA)
where:
Base-Base interactions energy: -144.398
where: short stacking energy: -67.947
Base-Backbone interact. energy: -0.196
local terms energy: -72.140639
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -203.774707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.774707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.774707 (E_RNA)
where:
Base-Base interactions energy: -130.500
where: short stacking energy: -45.982
Base-Backbone interact. energy: -1.533
local terms energy: -71.741835
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -172.006299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.006299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.006299 (E_RNA)
where:
Base-Base interactions energy: -107.793
where: short stacking energy: -53.239
Base-Backbone interact. energy: -0.373
local terms energy: -63.840612
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -101.111333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.111333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.111333 (E_RNA)
where:
Base-Base interactions energy: -46.066
where: short stacking energy: -38.627
Base-Backbone interact. energy: -0.407
local terms energy: -54.637546
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -99.842621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.842621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.842621 (E_RNA)
where:
Base-Base interactions energy: -44.767
where: short stacking energy: -40.853
Base-Backbone interact. energy: 0.365
local terms energy: -55.441440
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -85.236528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.236528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.236528 (E_RNA)
where:
Base-Base interactions energy: -33.879
where: short stacking energy: -30.330
Base-Backbone interact. energy: -0.059
local terms energy: -51.298937
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -5.598
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: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -95.167584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.167584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.167584 (E_RNA)
where:
Base-Base interactions energy: -43.734
where: short stacking energy: -24.065
Base-Backbone interact. energy: -0.504
local terms energy: -50.930187
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -78.475019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.475019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.475019 (E_RNA)
where:
Base-Base interactions energy: -26.456
where: short stacking energy: -26.456
Base-Backbone interact. energy: -0.411
local terms energy: -51.608152
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -217.666284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.666284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.666284 (E_RNA)
where:
Base-Base interactions energy: -148.787
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.744
local terms energy: -68.135416
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -217.663208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.663208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.663208 (E_RNA)
where:
Base-Base interactions energy: -142.822
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.524
local terms energy: -74.317224
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -214.708368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.708368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.708368 (E_RNA)
where:
Base-Base interactions energy: -149.357
where: short stacking energy: -66.504
Base-Backbone interact. energy: -0.693
local terms energy: -64.657996
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -211.771106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.771106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.771106 (E_RNA)
where:
Base-Base interactions energy: -138.585
where: short stacking energy: -47.412
Base-Backbone interact. energy: -0.075
local terms energy: -73.110532
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -155.476014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.476014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.476014 (E_RNA)
where:
Base-Base interactions energy: -98.752
where: short stacking energy: -50.639
Base-Backbone interact. energy: -0.027
local terms energy: -56.696808
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -111.880792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.880792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.880792 (E_RNA)
where:
Base-Base interactions energy: -58.561
where: short stacking energy: -37.191
Base-Backbone interact. energy: -0.265
local terms energy: -53.054852
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -95.969029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.969029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.969029 (E_RNA)
where:
Base-Base interactions energy: -41.690
where: short stacking energy: -32.523
Base-Backbone interact. energy: -0.246
local terms energy: -54.032995
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -10.385
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: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -99.790828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.790828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.790828 (E_RNA)
where:
Base-Base interactions energy: -43.170
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.133
local terms energy: -56.487449
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -86.806714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.806714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.806714 (E_RNA)
where:
Base-Base interactions energy: -35.611
where: short stacking energy: -22.951
Base-Backbone interact. energy: -0.314
local terms energy: -50.881877
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: 1.481
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: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -83.114417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.114417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.114417 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -33.200
Base-Backbone interact. energy: -0.080
local terms energy: -48.616582
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -4.924
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: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -228.418638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.418638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.418638 (E_RNA)
where:
Base-Base interactions energy: -150.363
where: short stacking energy: -72.395
Base-Backbone interact. energy: -0.564
local terms energy: -77.491830
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -11.949
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: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -215.527768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.527768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.527768 (E_RNA)
where:
Base-Base interactions energy: -139.688
where: short stacking energy: -70.025
Base-Backbone interact. energy: -0.009
local terms energy: -75.830507
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -209.771049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.771049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.771049 (E_RNA)
where:
Base-Base interactions energy: -139.889
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.065
local terms energy: -69.817025
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -216.044223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.044223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.044223 (E_RNA)
where:
Base-Base interactions energy: -139.084
where: short stacking energy: -71.857
Base-Backbone interact. energy: -0.157
local terms energy: -76.803707
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -147.736854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.736854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.736854 (E_RNA)
where:
Base-Base interactions energy: -85.206
where: short stacking energy: -39.734
Base-Backbone interact. energy: 2.934
local terms energy: -65.465216
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -93.597983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.597983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.597983 (E_RNA)
where:
Base-Base interactions energy: -36.811
where: short stacking energy: -31.412
Base-Backbone interact. energy: -0.099
local terms energy: -56.687447
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -101.667201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.667201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.667201 (E_RNA)
where:
Base-Base interactions energy: -50.200
where: short stacking energy: -23.796
Base-Backbone interact. energy: -0.241
local terms energy: -51.226220
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -83.350498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.350498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.350498 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -32.142
Base-Backbone interact. energy: -0.140
local terms energy: -43.560782
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -86.355618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.355618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.355618 (E_RNA)
where:
Base-Base interactions energy: -27.975
where: short stacking energy: -27.685
Base-Backbone interact. energy: -0.034
local terms energy: -58.345792
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -6.243
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: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -80.849487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.849487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.849487 (E_RNA)
where:
Base-Base interactions energy: -36.564
where: short stacking energy: -31.105
Base-Backbone interact. energy: -0.017
local terms energy: -44.268275
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: 0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -223.395936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.395936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.395936 (E_RNA)
where:
Base-Base interactions energy: -145.305
where: short stacking energy: -60.381
Base-Backbone interact. energy: -0.019
local terms energy: -78.071943
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -20.964
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: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -220.970656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.970656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.970656 (E_RNA)
where:
Base-Base interactions energy: -139.753
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.755
local terms energy: -80.462995
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -11.350
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: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -215.789432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.789432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.789432 (E_RNA)
where:
Base-Base interactions energy: -143.171
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.168
local terms energy: -72.450084
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -205.067465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.067465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.067465 (E_RNA)
where:
Base-Base interactions energy: -128.425
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.309
local terms energy: -76.333127
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -19.866
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: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -161.073609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.073609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.073609 (E_RNA)
where:
Base-Base interactions energy: -106.136
where: short stacking energy: -57.702
Base-Backbone interact. energy: -0.018
local terms energy: -54.919188
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -102.874645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.874645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.874645 (E_RNA)
where:
Base-Base interactions energy: -40.139
where: short stacking energy: -32.195
Base-Backbone interact. energy: -0.075
local terms energy: -62.660732
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -116.171250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.171250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.171250 (E_RNA)
where:
Base-Base interactions energy: -56.233
where: short stacking energy: -32.898
Base-Backbone interact. energy: -0.326
local terms energy: -59.612227
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -90.348150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.348150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.348150 (E_RNA)
where:
Base-Base interactions energy: -41.887
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.683
local terms energy: -47.778190
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -81.362133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.362133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.362133 (E_RNA)
where:
Base-Base interactions energy: -40.484
where: short stacking energy: -31.943
Base-Backbone interact. energy: -0.662
local terms energy: -40.216419
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -88.779408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.779408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.779408 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -22.223
Base-Backbone interact. energy: 0.002
local terms energy: -51.537748
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -6.058
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -9.745
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: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -216.752278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.752278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.752278 (E_RNA)
where:
Base-Base interactions energy: -147.056
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.285
local terms energy: -69.410532
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.982
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: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -222.435369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.435369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.435369 (E_RNA)
where:
Base-Base interactions energy: -153.525
where: short stacking energy: -72.294
Base-Backbone interact. energy: -0.001
local terms energy: -68.909610
where:
bonds (distance) C4'-P energy: -6.585
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -216.949179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.949179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.949179 (E_RNA)
where:
Base-Base interactions energy: -138.239
where: short stacking energy: -66.896
Base-Backbone interact. energy: -0.001
local terms energy: -78.708383
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -22.319
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: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -211.675562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.675562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.675562 (E_RNA)
where:
Base-Base interactions energy: -141.766
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.685
local terms energy: -69.224485
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -154.789538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.789538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.789538 (E_RNA)
where:
Base-Base interactions energy: -91.136
where: short stacking energy: -45.008
Base-Backbone interact. energy: -0.407
local terms energy: -63.246534
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -91.829762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.829762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.829762 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -33.422
Base-Backbone interact. energy: -0.234
local terms energy: -56.165711
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -3.091
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: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -99.488303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.488303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.488303 (E_RNA)
where:
Base-Base interactions energy: -54.456
where: short stacking energy: -31.790
Base-Backbone interact. energy: -0.241
local terms energy: -44.790482
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -89.532626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.532626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.532626 (E_RNA)
where:
Base-Base interactions energy: -39.859
where: short stacking energy: -22.665
Base-Backbone interact. energy: -0.100
local terms energy: -49.573593
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -69.771563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.771563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.771563 (E_RNA)
where:
Base-Base interactions energy: -19.945
where: short stacking energy: -14.284
Base-Backbone interact. energy: -0.243
local terms energy: -49.583547
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.737
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: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -93.560915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.560915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.560915 (E_RNA)
where:
Base-Base interactions energy: -43.657
where: short stacking energy: -21.820
Base-Backbone interact. energy: -0.221
local terms energy: -49.683079
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -226.021695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.021695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.021695 (E_RNA)
where:
Base-Base interactions energy: -144.970
where: short stacking energy: -54.097
Base-Backbone interact. energy: 1.058
local terms energy: -82.109852
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -19.898
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: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -222.860698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.860698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.860698 (E_RNA)
where:
Base-Base interactions energy: -142.760
where: short stacking energy: -64.614
Base-Backbone interact. energy: -1.271
local terms energy: -78.829944
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -13.859
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: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -219.584822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.584822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.584822 (E_RNA)
where:
Base-Base interactions energy: -143.520
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.251
local terms energy: -75.813913
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -217.253014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.253014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.253014 (E_RNA)
where:
Base-Base interactions energy: -133.838
where: short stacking energy: -60.070
Base-Backbone interact. energy: -1.803
local terms energy: -81.611614
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -22.783
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: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -151.727827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.727827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.727827 (E_RNA)
where:
Base-Base interactions energy: -91.188
where: short stacking energy: -50.421
Base-Backbone interact. energy: -0.023
local terms energy: -60.516739
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -107.280630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.280630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.280630 (E_RNA)
where:
Base-Base interactions energy: -48.468
where: short stacking energy: -29.824
Base-Backbone interact. energy: -0.271
local terms energy: -58.541554
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -97.695786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.695786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.695786 (E_RNA)
where:
Base-Base interactions energy: -44.579
where: short stacking energy: -42.688
Base-Backbone interact. energy: -0.211
local terms energy: -52.905283
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -98.350381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.350381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.350381 (E_RNA)
where:
Base-Base interactions energy: -38.723
where: short stacking energy: -35.742
Base-Backbone interact. energy: -0.098
local terms energy: -59.529719
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -8.882
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: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -82.328651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.328651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.328651 (E_RNA)
where:
Base-Base interactions energy: -28.408
where: short stacking energy: -26.661
Base-Backbone interact. energy: -0.369
local terms energy: -53.552063
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -79.098854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.098854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.098854 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -34.290
Base-Backbone interact. energy: 1.930
local terms energy: -46.738576
where:
bonds (distance) C4'-P energy: -7.837
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -7.029
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: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -221.869261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.869261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.869261 (E_RNA)
where:
Base-Base interactions energy: -144.526
where: short stacking energy: -62.415
Base-Backbone interact. energy: -0.165
local terms energy: -77.178336
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -217.418334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.418334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.418334 (E_RNA)
where:
Base-Base interactions energy: -136.887
where: short stacking energy: -59.935
Base-Backbone interact. energy: -1.417
local terms energy: -79.114787
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -216.435735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.435735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.435735 (E_RNA)
where:
Base-Base interactions energy: -151.554
where: short stacking energy: -56.912
Base-Backbone interact. energy: -0.119
local terms energy: -64.763379
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -219.582000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.582000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.582000 (E_RNA)
where:
Base-Base interactions energy: -144.257
where: short stacking energy: -52.704
Base-Backbone interact. energy: -0.640
local terms energy: -74.684740
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -13.940
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: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -166.461761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.461761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.461761 (E_RNA)
where:
Base-Base interactions energy: -105.012
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.109
local terms energy: -61.340414
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -6.583
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: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -95.135226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.135226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.135226 (E_RNA)
where:
Base-Base interactions energy: -45.411
where: short stacking energy: -31.698
Base-Backbone interact. energy: -0.076
local terms energy: -49.647791
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -92.361710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.361710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.361710 (E_RNA)
where:
Base-Base interactions energy: -33.724
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.109
local terms energy: -58.528300
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -7.985
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: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -88.081990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.081990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.081990 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -33.822
Base-Backbone interact. energy: -0.095
local terms energy: -54.164820
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -86.991619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.991619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.991619 (E_RNA)
where:
Base-Base interactions energy: -37.731
where: short stacking energy: -13.722
Base-Backbone interact. energy: -0.548
local terms energy: -48.712248
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -2.496
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: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -84.975025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.975025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.975025 (E_RNA)
where:
Base-Base interactions energy: -25.600
where: short stacking energy: -21.773
Base-Backbone interact. energy: -0.001
local terms energy: -59.373764
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -11.708
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: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -222.326984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.326984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.326984 (E_RNA)
where:
Base-Base interactions energy: -154.766
where: short stacking energy: -59.536
Base-Backbone interact. energy: -0.621
local terms energy: -66.939918
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -219.001853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.001853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.001853 (E_RNA)
where:
Base-Base interactions energy: -144.293
where: short stacking energy: -63.190
Base-Backbone interact. energy: -1.668
local terms energy: -73.041171
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -22.896
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: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -211.857301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.857301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.857301 (E_RNA)
where:
Base-Base interactions energy: -142.283
where: short stacking energy: -72.947
Base-Backbone interact. energy: -0.204
local terms energy: -69.370595
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -215.594995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.594995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.594995 (E_RNA)
where:
Base-Base interactions energy: -146.154
where: short stacking energy: -65.758
Base-Backbone interact. energy: -0.007
local terms energy: -69.434561
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -173.898000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.898000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.898000 (E_RNA)
where:
Base-Base interactions energy: -102.798
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.078
local terms energy: -71.022808
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -12.077
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: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -107.801880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.801880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.801880 (E_RNA)
where:
Base-Base interactions energy: -52.831
where: short stacking energy: -34.781
Base-Backbone interact. energy: 0.382
local terms energy: -55.353299
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -4.247
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: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -91.505105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.505105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.505105 (E_RNA)
where:
Base-Base interactions energy: -36.201
where: short stacking energy: -37.401
Base-Backbone interact. energy: -0.501
local terms energy: -54.802852
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -107.259546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.259546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.259546 (E_RNA)
where:
Base-Base interactions energy: -54.414
where: short stacking energy: -33.116
Base-Backbone interact. energy: -0.177
local terms energy: -52.668199
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -81.217591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.217591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.217591 (E_RNA)
where:
Base-Base interactions energy: -35.249
where: short stacking energy: -31.212
Base-Backbone interact. energy: -0.147
local terms energy: -45.821459
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -2.011
tors. eta vs tors. theta energy: -1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -92.880319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.880319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.880319 (E_RNA)
where:
Base-Base interactions energy: -40.704
where: short stacking energy: -23.457
Base-Backbone interact. energy: -0.398
local terms energy: -51.778833
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -3.905
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: 264
Temperature: 0.900000
Total energy: -228.838278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.838278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.838278 (E_RNA)
where:
Base-Base interactions energy: -144.387
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.053
local terms energy: -84.398229
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -223.835067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.835067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.835067 (E_RNA)
where:
Base-Base interactions energy: -151.547
where: short stacking energy: -57.144
Base-Backbone interact. energy: -1.195
local terms energy: -71.093793
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -201.154367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.154367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.154367 (E_RNA)
where:
Base-Base interactions energy: -127.788
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.002
local terms energy: -73.364888
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -10.644
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: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -216.630718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.630718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.630718 (E_RNA)
where:
Base-Base interactions energy: -141.586
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.509
local terms energy: -74.535666
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -166.709901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.709901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.709901 (E_RNA)
where:
Base-Base interactions energy: -107.539
where: short stacking energy: -51.228
Base-Backbone interact. energy: -0.062
local terms energy: -59.109217
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -129.459287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.459287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.459287 (E_RNA)
where:
Base-Base interactions energy: -61.163
where: short stacking energy: -51.963
Base-Backbone interact. energy: -0.014
local terms energy: -68.282223
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -92.609397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.609397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.609397 (E_RNA)
where:
Base-Base interactions energy: -54.573
where: short stacking energy: -31.009
Base-Backbone interact. energy: -0.117
local terms energy: -37.919868
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -8.164
flat angles P-C4'-P energy: -2.440
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -77.734129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.734129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.734129 (E_RNA)
where:
Base-Base interactions energy: -25.846
where: short stacking energy: -26.746
Base-Backbone interact. energy: -0.112
local terms energy: -51.776841
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -79.870901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.870901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.870901 (E_RNA)
where:
Base-Base interactions energy: -35.379
where: short stacking energy: -35.379
Base-Backbone interact. energy: -0.207
local terms energy: -44.284979
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -99.093905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.093905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.093905 (E_RNA)
where:
Base-Base interactions energy: -50.366
where: short stacking energy: -16.551
Base-Backbone interact. energy: -0.123
local terms energy: -48.604449
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -230.623245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.623245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.623245 (E_RNA)
where:
Base-Base interactions energy: -149.097
where: short stacking energy: -67.209
Base-Backbone interact. energy: -0.002
local terms energy: -81.524814
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -212.713307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.713307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.713307 (E_RNA)
where:
Base-Base interactions energy: -142.804
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.048
local terms energy: -69.861118
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -11.982
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: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -219.262779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.262779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.262779 (E_RNA)
where:
Base-Base interactions energy: -148.071
where: short stacking energy: -54.309
Base-Backbone interact. energy: -1.329
local terms energy: -69.862443
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -205.978456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.978456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.978456 (E_RNA)
where:
Base-Base interactions energy: -134.256
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.088
local terms energy: -71.635079
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -176.083533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.083533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.083533 (E_RNA)
where:
Base-Base interactions energy: -105.124
where: short stacking energy: -60.469
Base-Backbone interact. energy: -0.089
local terms energy: -70.871086
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -125.557763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.557763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.557763 (E_RNA)
where:
Base-Base interactions energy: -72.920
where: short stacking energy: -33.365
Base-Backbone interact. energy: -0.138
local terms energy: -52.500057
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -2.676
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: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -98.875178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.875178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.875178 (E_RNA)
where:
Base-Base interactions energy: -42.669
where: short stacking energy: -42.669
Base-Backbone interact. energy: -1.562
local terms energy: -54.644264
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -8.901
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: 265
Temperature: 1.250000
Total energy: -93.833068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.833068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.833068 (E_RNA)
where:
Base-Base interactions energy: -41.561
where: short stacking energy: -38.444
Base-Backbone interact. energy: -0.215
local terms energy: -52.056846
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -6.977
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: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -75.710871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.710871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.710871 (E_RNA)
where:
Base-Base interactions energy: -36.267
where: short stacking energy: -30.218
Base-Backbone interact. energy: -0.184
local terms energy: -39.259443
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -6.260
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: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -88.317955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.317955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.317955 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -36.755
Base-Backbone interact. energy: -0.258
local terms energy: -51.304794
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -223.111283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.111283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.111283 (E_RNA)
where:
Base-Base interactions energy: -152.009
where: short stacking energy: -47.777
Base-Backbone interact. energy: -1.805
local terms energy: -69.297425
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -17.566
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: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -218.505524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.505524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.505524 (E_RNA)
where:
Base-Base interactions energy: -150.899
where: short stacking energy: -57.391
Base-Backbone interact. energy: -0.007
local terms energy: -67.599498
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -17.025
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: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -208.091870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.091870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.091870 (E_RNA)
where:
Base-Base interactions energy: -140.539
where: short stacking energy: -55.227
Base-Backbone interact. energy: -0.339
local terms energy: -67.214481
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.448
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: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -209.752703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.752703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.752703 (E_RNA)
where:
Base-Base interactions energy: -137.332
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.016
local terms energy: -72.404824
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -161.961299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.961299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.961299 (E_RNA)
where:
Base-Base interactions energy: -95.279
where: short stacking energy: -51.058
Base-Backbone interact. energy: -1.661
local terms energy: -65.022140
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -157.210483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.210483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.210483 (E_RNA)
where:
Base-Base interactions energy: -97.148
where: short stacking energy: -54.184
Base-Backbone interact. energy: -0.403
local terms energy: -59.659192
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -91.451891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.451891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.451891 (E_RNA)
where:
Base-Base interactions energy: -36.047
where: short stacking energy: -38.047
Base-Backbone interact. energy: -0.117
local terms energy: -55.287548
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -7.170
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: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -83.516024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.516024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.516024 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -21.186
Base-Backbone interact. energy: -1.985
local terms energy: -39.568505
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -5.446
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: 3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -91.943905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.943905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.943905 (E_RNA)
where:
Base-Base interactions energy: -35.339
where: short stacking energy: -35.339
Base-Backbone interact. energy: -0.228
local terms energy: -56.376872
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -84.484051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.484051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.484051 (E_RNA)
where:
Base-Base interactions energy: -42.079
where: short stacking energy: -40.638
Base-Backbone interact. energy: -0.127
local terms energy: -42.278944
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -2.781
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -229.229307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.229307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.229307 (E_RNA)
where:
Base-Base interactions energy: -153.750
where: short stacking energy: -61.366
Base-Backbone interact. energy: -1.032
local terms energy: -74.446985
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -217.476308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.476308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.476308 (E_RNA)
where:
Base-Base interactions energy: -143.806
where: short stacking energy: -60.587
Base-Backbone interact. energy: -0.102
local terms energy: -73.568612
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -216.863182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.863182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.863182 (E_RNA)
where:
Base-Base interactions energy: -144.009
where: short stacking energy: -65.917
Base-Backbone interact. energy: -0.003
local terms energy: -72.851101
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -18.111
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: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -203.722664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.722664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.722664 (E_RNA)
where:
Base-Base interactions energy: -135.554
where: short stacking energy: -61.897
Base-Backbone interact. energy: 0.122
local terms energy: -68.290713
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -10.392
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -17.367
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: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -161.229509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.229509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.229509 (E_RNA)
where:
Base-Base interactions energy: -104.028
where: short stacking energy: -63.470
Base-Backbone interact. energy: 1.747
local terms energy: -58.948362
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -161.908916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.908916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.908916 (E_RNA)
where:
Base-Base interactions energy: -91.303
where: short stacking energy: -45.642
Base-Backbone interact. energy: -0.698
local terms energy: -69.907237
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -10.466
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: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -92.686518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.686518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.686518 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -29.279
Base-Backbone interact. energy: -0.159
local terms energy: -60.253975
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -96.901861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.901861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.901861 (E_RNA)
where:
Base-Base interactions energy: -36.289
where: short stacking energy: -36.112
Base-Backbone interact. energy: -0.215
local terms energy: -60.398292
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -96.474065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.474065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.474065 (E_RNA)
where:
Base-Base interactions energy: -44.214
where: short stacking energy: -43.017
Base-Backbone interact. energy: -0.090
local terms energy: -52.170156
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -79.209672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.209672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.209672 (E_RNA)
where:
Base-Base interactions energy: -36.480
where: short stacking energy: -28.599
Base-Backbone interact. energy: -0.727
local terms energy: -42.002711
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -2.683
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: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -226.648871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.648871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.648871 (E_RNA)
where:
Base-Base interactions energy: -150.815
where: short stacking energy: -73.462
Base-Backbone interact. energy: -0.006
local terms energy: -75.828374
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.745
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: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -223.484376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.484376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.484376 (E_RNA)
where:
Base-Base interactions energy: -149.077
where: short stacking energy: -68.739
Base-Backbone interact. energy: -1.593
local terms energy: -72.814891
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -219.341101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341101 (E_RNA)
where:
Base-Base interactions energy: -144.530
where: short stacking energy: -68.294
Base-Backbone interact. energy: 1.795
local terms energy: -76.606660
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -205.859299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.859299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.859299 (E_RNA)
where:
Base-Base interactions energy: -138.356
where: short stacking energy: -54.844
Base-Backbone interact. energy: -0.012
local terms energy: -67.490689
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -179.932248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.932248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.932248 (E_RNA)
where:
Base-Base interactions energy: -114.604
where: short stacking energy: -65.351
Base-Backbone interact. energy: 0.174
local terms energy: -65.501852
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -113.390429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.390429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.390429 (E_RNA)
where:
Base-Base interactions energy: -63.554
where: short stacking energy: -29.800
Base-Backbone interact. energy: -0.190
local terms energy: -49.647022
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -104.078643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.078643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.078643 (E_RNA)
where:
Base-Base interactions energy: -46.415
where: short stacking energy: -36.689
Base-Backbone interact. energy: -0.048
local terms energy: -57.614688
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -88.944566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.944566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.944566 (E_RNA)
where:
Base-Base interactions energy: -40.168
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.017
local terms energy: -48.759539
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -76.963863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.963863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.963863 (E_RNA)
where:
Base-Base interactions energy: -32.681
where: short stacking energy: -20.400
Base-Backbone interact. energy: 0.712
local terms energy: -44.995129
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: 1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -87.160482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.160482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.160482 (E_RNA)
where:
Base-Base interactions energy: -31.302
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.840
local terms energy: -55.018265
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -7.550
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: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -231.363137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.363137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.363137 (E_RNA)
where:
Base-Base interactions energy: -149.570
where: short stacking energy: -75.329
Base-Backbone interact. energy: -0.001
local terms energy: -81.792545
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -220.236013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.236013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.236013 (E_RNA)
where:
Base-Base interactions energy: -145.509
where: short stacking energy: -73.668
Base-Backbone interact. energy: -0.062
local terms energy: -74.664512
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -20.981
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: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -225.683061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.683061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.683061 (E_RNA)
where:
Base-Base interactions energy: -147.354
where: short stacking energy: -72.172
Base-Backbone interact. energy: -1.449
local terms energy: -76.880099
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -23.460
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: 269
Temperature: 1.050000
Total energy: -210.129445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.129445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.129445 (E_RNA)
where:
Base-Base interactions energy: -137.188
where: short stacking energy: -68.623
Base-Backbone interact. energy: -0.680
local terms energy: -72.261072
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -9.537
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: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -168.851249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.851249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.851249 (E_RNA)
where:
Base-Base interactions energy: -96.439
where: short stacking energy: -47.838
Base-Backbone interact. energy: -0.543
local terms energy: -71.868995
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -128.706969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.706969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.706969 (E_RNA)
where:
Base-Base interactions energy: -76.697
where: short stacking energy: -40.867
Base-Backbone interact. energy: -0.077
local terms energy: -51.933197
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -7.478
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: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -89.924689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.924689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.924689 (E_RNA)
where:
Base-Base interactions energy: -34.890
where: short stacking energy: -34.890
Base-Backbone interact. energy: -0.040
local terms energy: -54.994523
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -6.911
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: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -93.521562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.521562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.521562 (E_RNA)
where:
Base-Base interactions energy: -36.296
where: short stacking energy: -31.458
Base-Backbone interact. energy: -0.904
local terms energy: -56.321656
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -8.086
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: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -88.908781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.908781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.908781 (E_RNA)
where:
Base-Base interactions energy: -39.383
where: short stacking energy: -24.720
Base-Backbone interact. energy: -0.124
local terms energy: -49.401292
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -73.507958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.507958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.507958 (E_RNA)
where:
Base-Base interactions energy: -30.366
where: short stacking energy: -25.488
Base-Backbone interact. energy: 0.092
local terms energy: -43.233696
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: -5.079
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: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -225.974474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.974474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.974474 (E_RNA)
where:
Base-Base interactions energy: -148.814
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.002
local terms energy: -77.157842
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -218.465827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.465827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.465827 (E_RNA)
where:
Base-Base interactions energy: -139.814
where: short stacking energy: -65.624
Base-Backbone interact. energy: -0.015
local terms energy: -78.636711
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -206.111708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.111708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.111708 (E_RNA)
where:
Base-Base interactions energy: -133.429
where: short stacking energy: -51.502
Base-Backbone interact. energy: 0.049
local terms energy: -72.731463
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -209.922438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.922438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.922438 (E_RNA)
where:
Base-Base interactions energy: -137.446
where: short stacking energy: -62.091
Base-Backbone interact. energy: -0.973
local terms energy: -71.503779
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -143.446382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.446382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.446382 (E_RNA)
where:
Base-Base interactions energy: -82.730
where: short stacking energy: -51.475
Base-Backbone interact. energy: -0.630
local terms energy: -60.087202
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -171.011765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.011765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.011765 (E_RNA)
where:
Base-Base interactions energy: -106.538
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.002
local terms energy: -64.471587
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -16.103
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: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -136.547329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.547329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.547329 (E_RNA)
where:
Base-Base interactions energy: -80.590
where: short stacking energy: -44.736
Base-Backbone interact. energy: -0.086
local terms energy: -55.871637
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -8.363
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: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -82.562943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.562943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.562943 (E_RNA)
where:
Base-Base interactions energy: -37.384
where: short stacking energy: -37.384
Base-Backbone interact. energy: -0.136
local terms energy: -45.042807
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -6.987
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -83.460030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.460030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.460030 (E_RNA)
where:
Base-Base interactions energy: -32.014
where: short stacking energy: -31.513
Base-Backbone interact. energy: 0.830
local terms energy: -52.275340
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -13.271
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: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -78.636274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.636274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.636274 (E_RNA)
where:
Base-Base interactions energy: -35.340
where: short stacking energy: -24.427
Base-Backbone interact. energy: -0.221
local terms energy: -43.075132
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -0.479
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: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -229.729525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.729525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.729525 (E_RNA)
where:
Base-Base interactions energy: -146.333
where: short stacking energy: -72.257
Base-Backbone interact. energy: -1.345
local terms energy: -82.052108
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -209.681938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.681938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.681938 (E_RNA)
where:
Base-Base interactions energy: -143.724
where: short stacking energy: -62.280
Base-Backbone interact. energy: -0.677
local terms energy: -65.281023
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -211.569169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.569169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.569169 (E_RNA)
where:
Base-Base interactions energy: -137.868
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.128
local terms energy: -73.572918
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -212.345027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.345027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.345027 (E_RNA)
where:
Base-Base interactions energy: -149.860
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.083
local terms energy: -62.402553
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -160.061251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.061251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.061251 (E_RNA)
where:
Base-Base interactions energy: -87.656
where: short stacking energy: -51.766
Base-Backbone interact. energy: 0.356
local terms energy: -72.760592
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.614
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: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -142.155755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.155755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.155755 (E_RNA)
where:
Base-Base interactions energy: -77.975
where: short stacking energy: -38.152
Base-Backbone interact. energy: -0.050
local terms energy: -64.131364
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.619
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: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -150.494026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.494026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.494026 (E_RNA)
where:
Base-Base interactions energy: -88.152
where: short stacking energy: -45.193
Base-Backbone interact. energy: -0.723
local terms energy: -61.618866
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -13.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -95.258196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.258196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.258196 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -25.365
Base-Backbone interact. energy: -0.667
local terms energy: -59.167037
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -85.820011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.820011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.820011 (E_RNA)
where:
Base-Base interactions energy: -36.070
where: short stacking energy: -34.876
Base-Backbone interact. energy: -0.109
local terms energy: -49.640962
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -0.762
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -79.101298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.101298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.101298 (E_RNA)
where:
Base-Base interactions energy: -32.039
where: short stacking energy: -32.039
Base-Backbone interact. energy: -0.025
local terms energy: -47.036503
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -215.452887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.452887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.452887 (E_RNA)
where:
Base-Base interactions energy: -144.326
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.907
local terms energy: -70.220605
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.710
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: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -222.878487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.878487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.878487 (E_RNA)
where:
Base-Base interactions energy: -141.571
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.651
local terms energy: -80.656289
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -218.158021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.158021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.158021 (E_RNA)
where:
Base-Base interactions energy: -145.386
where: short stacking energy: -69.391
Base-Backbone interact. energy: -0.002
local terms energy: -72.770701
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -218.234493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.234493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.234493 (E_RNA)
where:
Base-Base interactions energy: -147.341
where: short stacking energy: -53.803
Base-Backbone interact. energy: -0.004
local terms energy: -70.889243
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -144.875750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.875750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.875750 (E_RNA)
where:
Base-Base interactions energy: -84.299
where: short stacking energy: -44.726
Base-Backbone interact. energy: -0.160
local terms energy: -60.417477
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -178.932977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.932977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.932977 (E_RNA)
where:
Base-Base interactions energy: -122.113
where: short stacking energy: -46.342
Base-Backbone interact. energy: 0.652
local terms energy: -57.471469
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -138.117791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.117791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.117791 (E_RNA)
where:
Base-Base interactions energy: -80.365
where: short stacking energy: -39.431
Base-Backbone interact. energy: -0.007
local terms energy: -57.745565
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -83.099987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.099987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.099987 (E_RNA)
where:
Base-Base interactions energy: -44.982
where: short stacking energy: -37.631
Base-Backbone interact. energy: 1.743
local terms energy: -39.860806
where:
bonds (distance) C4'-P energy: -5.980
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: 1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -78.058014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.058014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.058014 (E_RNA)
where:
Base-Base interactions energy: -31.865
where: short stacking energy: -29.717
Base-Backbone interact. energy: -0.111
local terms energy: -46.081100
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -8.787
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -83.122826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.122826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.122826 (E_RNA)
where:
Base-Base interactions energy: -26.599
where: short stacking energy: -25.966
Base-Backbone interact. energy: -0.103
local terms energy: -56.420450
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -215.310883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.310883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.310883 (E_RNA)
where:
Base-Base interactions energy: -146.787
where: short stacking energy: -57.596
Base-Backbone interact. energy: -1.503
local terms energy: -67.020341
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -220.759089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.759089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.759089 (E_RNA)
where:
Base-Base interactions energy: -147.406
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.177
local terms energy: -73.176582
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -20.471
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: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -219.974270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.974270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.974270 (E_RNA)
where:
Base-Base interactions energy: -143.948
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.290
local terms energy: -75.736282
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -209.610472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.610472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.610472 (E_RNA)
where:
Base-Base interactions energy: -143.148
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.028
local terms energy: -66.434976
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -139.479135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.479135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.479135 (E_RNA)
where:
Base-Base interactions energy: -83.862
where: short stacking energy: -45.404
Base-Backbone interact. energy: 0.046
local terms energy: -55.662711
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -173.159337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.159337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.159337 (E_RNA)
where:
Base-Base interactions energy: -110.309
where: short stacking energy: -47.191
Base-Backbone interact. energy: -0.464
local terms energy: -62.386521
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -99.372772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.372772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.372772 (E_RNA)
where:
Base-Base interactions energy: -44.769
where: short stacking energy: -37.959
Base-Backbone interact. energy: -1.007
local terms energy: -53.596850
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -98.551991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.551991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.551991 (E_RNA)
where:
Base-Base interactions energy: -45.038
where: short stacking energy: -43.413
Base-Backbone interact. energy: 0.225
local terms energy: -53.738475
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -87.466655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.466655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.466655 (E_RNA)
where:
Base-Base interactions energy: -47.781
where: short stacking energy: -29.561
Base-Backbone interact. energy: 3.041
local terms energy: -42.727245
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -8.576
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: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -81.197440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.197440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.197440 (E_RNA)
where:
Base-Base interactions energy: -35.943
where: short stacking energy: -28.928
Base-Backbone interact. energy: 2.689
local terms energy: -47.943351
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -3.723
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: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -215.638317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.638317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.638317 (E_RNA)
where:
Base-Base interactions energy: -141.713
where: short stacking energy: -67.344
Base-Backbone interact. energy: -0.208
local terms energy: -73.717238
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -218.875102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.875102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.875102 (E_RNA)
where:
Base-Base interactions energy: -151.911
where: short stacking energy: -58.377
Base-Backbone interact. energy: -0.101
local terms energy: -66.862293
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -12.548
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: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -219.588886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.588886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.588886 (E_RNA)
where:
Base-Base interactions energy: -154.111
where: short stacking energy: -63.436
Base-Backbone interact. energy: -0.003
local terms energy: -65.475117
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -18.440
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: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -216.551200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.551200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.551200 (E_RNA)
where:
Base-Base interactions energy: -141.324
where: short stacking energy: -58.444
Base-Backbone interact. energy: -0.986
local terms energy: -74.241496
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -181.635192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.635192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.635192 (E_RNA)
where:
Base-Base interactions energy: -119.070
where: short stacking energy: -54.035
Base-Backbone interact. energy: -0.335
local terms energy: -62.229470
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -136.778413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.778413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.778413 (E_RNA)
where:
Base-Base interactions energy: -80.063
where: short stacking energy: -43.944
Base-Backbone interact. energy: -0.143
local terms energy: -56.572720
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -5.173
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: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -107.553058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.553058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.553058 (E_RNA)
where:
Base-Base interactions energy: -48.526
where: short stacking energy: -38.781
Base-Backbone interact. energy: -2.271
local terms energy: -56.756800
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -10.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -87.689969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.689969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.689969 (E_RNA)
where:
Base-Base interactions energy: -34.731
where: short stacking energy: -34.731
Base-Backbone interact. energy: -0.014
local terms energy: -52.945508
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -8.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -82.677014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.677014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.677014 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -31.551
Base-Backbone interact. energy: -0.948
local terms energy: -48.256517
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -73.249568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.249568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.249568 (E_RNA)
where:
Base-Base interactions energy: -19.215
where: short stacking energy: -18.629
Base-Backbone interact. energy: -0.351
local terms energy: -53.683340
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -223.283031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.283031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.283031 (E_RNA)
where:
Base-Base interactions energy: -148.434
where: short stacking energy: -58.255
Base-Backbone interact. energy: -1.330
local terms energy: -73.518757
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -220.286652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.286652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.286652 (E_RNA)
where:
Base-Base interactions energy: -144.010
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.630
local terms energy: -75.647472
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -8.859
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: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -207.460487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.460487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.460487 (E_RNA)
where:
Base-Base interactions energy: -136.520
where: short stacking energy: -52.559
Base-Backbone interact. energy: -1.039
local terms energy: -69.900828
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -10.778
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: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -196.256949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.256949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.256949 (E_RNA)
where:
Base-Base interactions energy: -130.184
where: short stacking energy: -50.840
Base-Backbone interact. energy: -0.357
local terms energy: -65.716478
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -207.455941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.455941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.455941 (E_RNA)
where:
Base-Base interactions energy: -134.047
where: short stacking energy: -63.007
Base-Backbone interact. energy: 1.171
local terms energy: -74.579675
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -157.004769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.004769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.004769 (E_RNA)
where:
Base-Base interactions energy: -98.878
where: short stacking energy: -39.097
Base-Backbone interact. energy: 1.293
local terms energy: -59.420071
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -9.469
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: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -92.964282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.964282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.964282 (E_RNA)
where:
Base-Base interactions energy: -36.989
where: short stacking energy: -26.719
Base-Backbone interact. energy: -1.193
local terms energy: -54.782841
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -91.298968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298968 (E_RNA)
where:
Base-Base interactions energy: -39.056
where: short stacking energy: -28.706
Base-Backbone interact. energy: -0.132
local terms energy: -52.111312
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -108.936844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.936844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.936844 (E_RNA)
where:
Base-Base interactions energy: -64.343
where: short stacking energy: -34.314
Base-Backbone interact. energy: -0.197
local terms energy: -44.396930
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -4.701
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: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -77.022878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.022878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.022878 (E_RNA)
where:
Base-Base interactions energy: -28.736
where: short stacking energy: -25.531
Base-Backbone interact. energy: -0.146
local terms energy: -48.141545
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -226.611472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.611472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.611472 (E_RNA)
where:
Base-Base interactions energy: -143.464
where: short stacking energy: -75.951
Base-Backbone interact. energy: -0.067
local terms energy: -83.080343
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -21.360
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -217.866436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.866436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.866436 (E_RNA)
where:
Base-Base interactions energy: -152.304
where: short stacking energy: -57.068
Base-Backbone interact. energy: 0.336
local terms energy: -65.898545
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -199.167027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.167027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.167027 (E_RNA)
where:
Base-Base interactions energy: -135.861
where: short stacking energy: -65.108
Base-Backbone interact. energy: -0.024
local terms energy: -63.282036
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -206.230881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.230881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.230881 (E_RNA)
where:
Base-Base interactions energy: -137.783
where: short stacking energy: -55.349
Base-Backbone interact. energy: -0.368
local terms energy: -68.080293
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -198.117027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.117027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.117027 (E_RNA)
where:
Base-Base interactions energy: -126.339
where: short stacking energy: -60.775
Base-Backbone interact. energy: -0.062
local terms energy: -71.716102
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -165.537445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.537445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.537445 (E_RNA)
where:
Base-Base interactions energy: -102.766
where: short stacking energy: -49.192
Base-Backbone interact. energy: -0.055
local terms energy: -62.716559
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -9.663
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -102.941791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.941791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.941791 (E_RNA)
where:
Base-Base interactions energy: -51.437
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.299
local terms energy: -51.205687
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -101.053117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.053117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.053117 (E_RNA)
where:
Base-Base interactions energy: -52.269
where: short stacking energy: -28.721
Base-Backbone interact. energy: -0.196
local terms energy: -48.587742
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -69.957941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.957941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.957941 (E_RNA)
where:
Base-Base interactions energy: -23.238
where: short stacking energy: -14.048
Base-Backbone interact. energy: -0.420
local terms energy: -46.300263
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -85.265600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.265600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.265600 (E_RNA)
where:
Base-Base interactions energy: -33.417
where: short stacking energy: -30.987
Base-Backbone interact. energy: 4.544
local terms energy: -56.392783
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -214.068641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.068641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.068641 (E_RNA)
where:
Base-Base interactions energy: -145.484
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.047
local terms energy: -68.537802
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -210.976511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.976511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.976511 (E_RNA)
where:
Base-Base interactions energy: -139.809
where: short stacking energy: -64.033
Base-Backbone interact. energy: -0.006
local terms energy: -71.161466
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -221.520117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.520117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.520117 (E_RNA)
where:
Base-Base interactions energy: -143.165
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.009
local terms energy: -78.345892
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -203.225733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.225733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.225733 (E_RNA)
where:
Base-Base interactions energy: -138.857
where: short stacking energy: -51.170
Base-Backbone interact. energy: -0.115
local terms energy: -64.253279
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -10.180
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: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -210.397575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.397575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.397575 (E_RNA)
where:
Base-Base interactions energy: -140.145
where: short stacking energy: -64.374
Base-Backbone interact. energy: 0.200
local terms energy: -70.452747
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -109.160590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.160590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.160590 (E_RNA)
where:
Base-Base interactions energy: -61.804
where: short stacking energy: -33.582
Base-Backbone interact. energy: -0.223
local terms energy: -47.132828
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -141.098848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.098848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.098848 (E_RNA)
where:
Base-Base interactions energy: -91.505
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.399
local terms energy: -49.194026
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -77.174634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.174634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.174634 (E_RNA)
where:
Base-Base interactions energy: -30.314
where: short stacking energy: -24.230
Base-Backbone interact. energy: -0.107
local terms energy: -46.753752
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -99.698924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.698924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.698924 (E_RNA)
where:
Base-Base interactions energy: -52.110
where: short stacking energy: -28.177
Base-Backbone interact. energy: 2.496
local terms energy: -50.084158
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -86.525225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.525225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.525225 (E_RNA)
where:
Base-Base interactions energy: -34.272
where: short stacking energy: -34.272
Base-Backbone interact. energy: -0.207
local terms energy: -52.046312
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -2.095
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: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -220.064510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.064510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.064510 (E_RNA)
where:
Base-Base interactions energy: -151.800
where: short stacking energy: -53.372
Base-Backbone interact. energy: -0.021
local terms energy: -68.243686
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -16.738
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: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -197.747946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.747946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.747946 (E_RNA)
where:
Base-Base interactions energy: -123.760
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.142
local terms energy: -73.846453
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -220.495182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.495182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.495182 (E_RNA)
where:
Base-Base interactions energy: -140.218
where: short stacking energy: -59.998
Base-Backbone interact. energy: -0.072
local terms energy: -80.204699
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -210.861174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.861174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.861174 (E_RNA)
where:
Base-Base interactions energy: -145.861
where: short stacking energy: -54.401
Base-Backbone interact. energy: -1.195
local terms energy: -63.804760
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -3.961
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: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -207.121462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.121462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.121462 (E_RNA)
where:
Base-Base interactions energy: -141.900
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.051
local terms energy: -65.170847
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -154.895321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.895321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.895321 (E_RNA)
where:
Base-Base interactions energy: -95.752
where: short stacking energy: -45.363
Base-Backbone interact. energy: -1.564
local terms energy: -57.579187
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -10.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -90.190762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.190762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.190762 (E_RNA)
where:
Base-Base interactions energy: -38.789
where: short stacking energy: -26.373
Base-Backbone interact. energy: -0.562
local terms energy: -50.838913
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.061
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: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -130.670990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.670990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.670990 (E_RNA)
where:
Base-Base interactions energy: -79.141
where: short stacking energy: -35.243
Base-Backbone interact. energy: -0.629
local terms energy: -50.901559
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -94.291444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.291444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.291444 (E_RNA)
where:
Base-Base interactions energy: -53.547
where: short stacking energy: -26.816
Base-Backbone interact. energy: 3.959
local terms energy: -44.702993
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -0.811
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: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -72.542456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.542456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.542456 (E_RNA)
where:
Base-Base interactions energy: -28.117
where: short stacking energy: -28.072
Base-Backbone interact. energy: -0.283
local terms energy: -44.142756
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -231.088794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.088794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.088794 (E_RNA)
where:
Base-Base interactions energy: -153.652
where: short stacking energy: -55.392
Base-Backbone interact. energy: -0.568
local terms energy: -76.869306
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -220.349257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.349257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.349257 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -66.409
Base-Backbone interact. energy: -0.016
local terms energy: -78.743032
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -204.938295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.938295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.938295 (E_RNA)
where:
Base-Base interactions energy: -134.523
where: short stacking energy: -60.905
Base-Backbone interact. energy: -0.002
local terms energy: -70.413048
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -220.069480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.069480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.069480 (E_RNA)
where:
Base-Base interactions energy: -138.771
where: short stacking energy: -64.129
Base-Backbone interact. energy: -1.547
local terms energy: -79.751186
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -20.256
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: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -203.943659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.943659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.943659 (E_RNA)
where:
Base-Base interactions energy: -135.689
where: short stacking energy: -66.050
Base-Backbone interact. energy: -0.182
local terms energy: -68.072483
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -19.306
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: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -187.345872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.345872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.345872 (E_RNA)
where:
Base-Base interactions energy: -117.166
where: short stacking energy: -61.400
Base-Backbone interact. energy: 0.165
local terms energy: -70.344620
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -83.761730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.761730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.761730 (E_RNA)
where:
Base-Base interactions energy: -39.463
where: short stacking energy: -33.912
Base-Backbone interact. energy: -0.344
local terms energy: -43.954761
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -139.457698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.457698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.457698 (E_RNA)
where:
Base-Base interactions energy: -83.627
where: short stacking energy: -49.292
Base-Backbone interact. energy: -0.050
local terms energy: -55.781180
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -79.605016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.605016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.605016 (E_RNA)
where:
Base-Base interactions energy: -34.876
where: short stacking energy: -17.719
Base-Backbone interact. energy: -0.181
local terms energy: -44.548369
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: 3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -119.182860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.182860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.182860 (E_RNA)
where:
Base-Base interactions energy: -60.189
where: short stacking energy: -38.796
Base-Backbone interact. energy: -0.323
local terms energy: -58.671468
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -9.697
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: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -224.285351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.285351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.285351 (E_RNA)
where:
Base-Base interactions energy: -143.370
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.119
local terms energy: -80.795671
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -20.490
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: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -224.241054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.241054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.241054 (E_RNA)
where:
Base-Base interactions energy: -151.408
where: short stacking energy: -56.194
Base-Backbone interact. energy: -0.402
local terms energy: -72.431814
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -12.483
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: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -221.397533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.397533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.397533 (E_RNA)
where:
Base-Base interactions energy: -142.435
where: short stacking energy: -69.243
Base-Backbone interact. energy: -0.305
local terms energy: -78.658008
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -194.687805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.687805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.687805 (E_RNA)
where:
Base-Base interactions energy: -125.589
where: short stacking energy: -53.269
Base-Backbone interact. energy: -0.303
local terms energy: -68.796325
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -218.124275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.124275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.124275 (E_RNA)
where:
Base-Base interactions energy: -145.733
where: short stacking energy: -68.937
Base-Backbone interact. energy: -0.003
local terms energy: -72.388186
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -176.798730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.798730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.798730 (E_RNA)
where:
Base-Base interactions energy: -108.405
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.014
local terms energy: -68.378931
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -7.436
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: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -146.690580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.690580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.690580 (E_RNA)
where:
Base-Base interactions energy: -94.185
where: short stacking energy: -49.360
Base-Backbone interact. energy: -0.395
local terms energy: -52.110591
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -9.219
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: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -109.187524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.187524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.187524 (E_RNA)
where:
Base-Base interactions energy: -59.424
where: short stacking energy: -44.498
Base-Backbone interact. energy: -0.098
local terms energy: -49.666069
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -2.915
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -84.699145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.699145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.699145 (E_RNA)
where:
Base-Base interactions energy: -30.352
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.199
local terms energy: -54.148373
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -72.926745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.926745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.926745 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -32.809
Base-Backbone interact. energy: 0.204
local terms energy: -40.421943
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -7.193
flat angles P-C4'-P energy: -2.156
tors. eta vs tors. theta energy: -3.542
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: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -226.209865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.209865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.209865 (E_RNA)
where:
Base-Base interactions energy: -150.513
where: short stacking energy: -66.804
Base-Backbone interact. energy: -1.366
local terms energy: -74.330861
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -221.865413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.865413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.865413 (E_RNA)
where:
Base-Base interactions energy: -144.489
where: short stacking energy: -70.433
Base-Backbone interact. energy: -0.001
local terms energy: -77.375680
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -11.584
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: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -203.767508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.767508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.767508 (E_RNA)
where:
Base-Base interactions energy: -134.590
where: short stacking energy: -66.938
Base-Backbone interact. energy: -0.074
local terms energy: -69.103022
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -16.087
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: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -207.189941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.189941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.189941 (E_RNA)
where:
Base-Base interactions energy: -141.135
where: short stacking energy: -56.755
Base-Backbone interact. energy: -0.590
local terms energy: -65.465711
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -186.526105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.526105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.526105 (E_RNA)
where:
Base-Base interactions energy: -123.589
where: short stacking energy: -58.085
Base-Backbone interact. energy: -0.120
local terms energy: -62.817113
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -184.687999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.687999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.687999 (E_RNA)
where:
Base-Base interactions energy: -110.366
where: short stacking energy: -53.937
Base-Backbone interact. energy: -2.049
local terms energy: -72.272991
where:
bonds (distance) C4'-P energy: -8.325
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -17.553
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: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -142.706146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.706146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.706146 (E_RNA)
where:
Base-Base interactions energy: -95.780
where: short stacking energy: -48.107
Base-Backbone interact. energy: -0.147
local terms energy: -46.779269
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -0.979
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -79.839145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.839145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.839145 (E_RNA)
where:
Base-Base interactions energy: -25.677
where: short stacking energy: -25.677
Base-Backbone interact. energy: -0.209
local terms energy: -53.953300
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -79.593063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.593063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.593063 (E_RNA)
where:
Base-Base interactions energy: -31.184
where: short stacking energy: -29.252
Base-Backbone interact. energy: -0.312
local terms energy: -48.096491
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -6.376
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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -81.688163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.688163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.688163 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.268
local terms energy: -53.233492
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -228.042146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.042146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.042146 (E_RNA)
where:
Base-Base interactions energy: -148.320
where: short stacking energy: -63.133
Base-Backbone interact. energy: -0.704
local terms energy: -79.018107
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -206.826628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.826628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.826628 (E_RNA)
where:
Base-Base interactions energy: -130.542
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.237
local terms energy: -76.047331
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -210.809109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.809109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.809109 (E_RNA)
where:
Base-Base interactions energy: -136.859
where: short stacking energy: -56.842
Base-Backbone interact. energy: -1.657
local terms energy: -72.292576
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -199.986698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.986698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.986698 (E_RNA)
where:
Base-Base interactions energy: -137.387
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.066
local terms energy: -62.532850
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -8.108
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: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -174.222881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.222881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.222881 (E_RNA)
where:
Base-Base interactions energy: -103.928
where: short stacking energy: -57.804
Base-Backbone interact. energy: -0.146
local terms energy: -70.149257
where:
bonds (distance) C4'-P energy: -6.633
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -11.818
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: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -170.280255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.280255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.280255 (E_RNA)
where:
Base-Base interactions energy: -119.253
where: short stacking energy: -43.990
Base-Backbone interact. energy: -0.230
local terms energy: -50.797824
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -144.723747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.723747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.723747 (E_RNA)
where:
Base-Base interactions energy: -90.208
where: short stacking energy: -46.268
Base-Backbone interact. energy: -0.006
local terms energy: -54.509292
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -8.330
flat angles P-C4'-P energy: -6.630
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: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -87.376590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.376590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.376590 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -32.989
Base-Backbone interact. energy: 0.707
local terms energy: -55.094945
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -78.284068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.284068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.284068 (E_RNA)
where:
Base-Base interactions energy: -35.065
where: short stacking energy: -35.065
Base-Backbone interact. energy: -0.302
local terms energy: -42.916599
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -79.636774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.636774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.636774 (E_RNA)
where:
Base-Base interactions energy: -29.972
where: short stacking energy: -21.414
Base-Backbone interact. energy: 0.185
local terms energy: -49.849770
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -223.233864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.233864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.233864 (E_RNA)
where:
Base-Base interactions energy: -144.228
where: short stacking energy: -67.282
Base-Backbone interact. energy: -1.997
local terms energy: -77.008528
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -18.664
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: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -212.023080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.023080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.023080 (E_RNA)
where:
Base-Base interactions energy: -140.132
where: short stacking energy: -54.374
Base-Backbone interact. energy: -1.420
local terms energy: -70.470553
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -216.486961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.486961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.486961 (E_RNA)
where:
Base-Base interactions energy: -143.636
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.803
local terms energy: -72.047621
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -211.108922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.108922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.108922 (E_RNA)
where:
Base-Base interactions energy: -139.575
where: short stacking energy: -55.452
Base-Backbone interact. energy: -0.160
local terms energy: -71.373922
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -168.310384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.310384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.310384 (E_RNA)
where:
Base-Base interactions energy: -105.469
where: short stacking energy: -50.678
Base-Backbone interact. energy: -0.053
local terms energy: -62.788191
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -7.749
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -162.837769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.837769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.837769 (E_RNA)
where:
Base-Base interactions energy: -103.877
where: short stacking energy: -55.225
Base-Backbone interact. energy: -0.578
local terms energy: -58.382002
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -164.686743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.686743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.686743 (E_RNA)
where:
Base-Base interactions energy: -107.407
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.037
local terms energy: -57.243121
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -86.826412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.826412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.826412 (E_RNA)
where:
Base-Base interactions energy: -27.307
where: short stacking energy: -27.307
Base-Backbone interact. energy: -0.032
local terms energy: -59.487606
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -80.370425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.370425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.370425 (E_RNA)
where:
Base-Base interactions energy: -24.906
where: short stacking energy: -20.059
Base-Backbone interact. energy: 2.964
local terms energy: -58.427839
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -84.695398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.695398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.695398 (E_RNA)
where:
Base-Base interactions energy: -32.741
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.064
local terms energy: -51.890623
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -219.176758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.176758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.176758 (E_RNA)
where:
Base-Base interactions energy: -146.985
where: short stacking energy: -50.760
Base-Backbone interact. energy: -0.239
local terms energy: -71.953443
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -16.998
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: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -225.709054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.709054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.709054 (E_RNA)
where:
Base-Base interactions energy: -148.335
where: short stacking energy: -71.888
Base-Backbone interact. energy: -1.256
local terms energy: -76.117711
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -220.729567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.729567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.729567 (E_RNA)
where:
Base-Base interactions energy: -148.930
where: short stacking energy: -65.994
Base-Backbone interact. energy: -0.065
local terms energy: -71.733676
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -212.828507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.828507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.828507 (E_RNA)
where:
Base-Base interactions energy: -142.100
where: short stacking energy: -60.014
Base-Backbone interact. energy: -0.872
local terms energy: -69.856238
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -170.324704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.324704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.324704 (E_RNA)
where:
Base-Base interactions energy: -103.304
where: short stacking energy: -53.094
Base-Backbone interact. energy: -0.158
local terms energy: -66.862721
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -158.032149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.032149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.032149 (E_RNA)
where:
Base-Base interactions energy: -96.027
where: short stacking energy: -39.634
Base-Backbone interact. energy: -0.774
local terms energy: -61.231379
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -147.628423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.628423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.628423 (E_RNA)
where:
Base-Base interactions energy: -90.135
where: short stacking energy: -37.032
Base-Backbone interact. energy: -0.230
local terms energy: -57.262781
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -93.686864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.686864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.686864 (E_RNA)
where:
Base-Base interactions energy: -39.699
where: short stacking energy: -39.699
Base-Backbone interact. energy: -0.175
local terms energy: -53.813358
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -97.321557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.321557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.321557 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -32.431
Base-Backbone interact. energy: -0.010
local terms energy: -59.364785
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -79.605635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.605635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.605635 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -35.028
Base-Backbone interact. energy: 0.820
local terms energy: -43.788703
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -219.318519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.318519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.318519 (E_RNA)
where:
Base-Base interactions energy: -146.826
where: short stacking energy: -52.513
Base-Backbone interact. energy: -1.429
local terms energy: -71.064098
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -220.506379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.506379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.506379 (E_RNA)
where:
Base-Base interactions energy: -140.096
where: short stacking energy: -70.939
Base-Backbone interact. energy: -0.005
local terms energy: -80.405310
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -219.408156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.408156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408156 (E_RNA)
where:
Base-Base interactions energy: -140.116
where: short stacking energy: -66.458
Base-Backbone interact. energy: -1.278
local terms energy: -78.015096
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -204.622365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.622365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.622365 (E_RNA)
where:
Base-Base interactions energy: -135.951
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.197
local terms energy: -68.474364
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -182.864595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.864595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.864595 (E_RNA)
where:
Base-Base interactions energy: -113.293
where: short stacking energy: -50.524
Base-Backbone interact. energy: -0.233
local terms energy: -69.339381
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -176.919072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.919072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.919072 (E_RNA)
where:
Base-Base interactions energy: -111.736
where: short stacking energy: -48.040
Base-Backbone interact. energy: -0.889
local terms energy: -64.293856
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -147.811504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.811504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.811504 (E_RNA)
where:
Base-Base interactions energy: -96.822
where: short stacking energy: -50.228
Base-Backbone interact. energy: -0.271
local terms energy: -50.718507
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -6.870
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -112.936510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.936510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.936510 (E_RNA)
where:
Base-Base interactions energy: -63.454
where: short stacking energy: -32.651
Base-Backbone interact. energy: -0.269
local terms energy: -49.213361
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -72.460129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.460129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.460129 (E_RNA)
where:
Base-Base interactions energy: -25.845
where: short stacking energy: -23.161
Base-Backbone interact. energy: -0.161
local terms energy: -46.454670
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -81.218559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.218559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.218559 (E_RNA)
where:
Base-Base interactions energy: -30.808
where: short stacking energy: -30.808
Base-Backbone interact. energy: 0.273
local terms energy: -50.683371
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -3.209
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: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -218.957616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.957616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.957616 (E_RNA)
where:
Base-Base interactions energy: -147.652
where: short stacking energy: -64.556
Base-Backbone interact. energy: -0.114
local terms energy: -71.191619
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -212.003009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.003009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.003009 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -67.281
Base-Backbone interact. energy: -0.170
local terms energy: -74.483766
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -210.970269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.970269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.970269 (E_RNA)
where:
Base-Base interactions energy: -140.466
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.050
local terms energy: -70.454189
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -6.169
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: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -210.896408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.896408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.896408 (E_RNA)
where:
Base-Base interactions energy: -131.022
where: short stacking energy: -68.455
Base-Backbone interact. energy: -0.044
local terms energy: -79.830968
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -177.461808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.461808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.461808 (E_RNA)
where:
Base-Base interactions energy: -119.665
where: short stacking energy: -52.487
Base-Backbone interact. energy: -0.170
local terms energy: -57.626775
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -5.054
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -171.149243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.149243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.149243 (E_RNA)
where:
Base-Base interactions energy: -99.660
where: short stacking energy: -50.209
Base-Backbone interact. energy: -0.994
local terms energy: -70.495016
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -134.010156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.010156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.010156 (E_RNA)
where:
Base-Base interactions energy: -76.470
where: short stacking energy: -29.087
Base-Backbone interact. energy: -0.158
local terms energy: -57.382182
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -3.805
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: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -130.860658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.860658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.860658 (E_RNA)
where:
Base-Base interactions energy: -73.543
where: short stacking energy: -43.485
Base-Backbone interact. energy: -0.065
local terms energy: -57.252628
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -8.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -86.057427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.057427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.057427 (E_RNA)
where:
Base-Base interactions energy: -37.428
where: short stacking energy: -15.722
Base-Backbone interact. energy: -0.020
local terms energy: -48.610001
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -9.910
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: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -73.020254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.020254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.020254 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -25.331
Base-Backbone interact. energy: 0.311
local terms energy: -45.100364
where:
bonds (distance) C4'-P energy: -6.414
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -222.802563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.802563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.802563 (E_RNA)
where:
Base-Base interactions energy: -150.962
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.915
local terms energy: -70.925632
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -209.563926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.563926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.563926 (E_RNA)
where:
Base-Base interactions energy: -136.845
where: short stacking energy: -65.098
Base-Backbone interact. energy: -0.413
local terms energy: -72.305722
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -12.198
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: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -216.720484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.720484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.720484 (E_RNA)
where:
Base-Base interactions energy: -141.685
where: short stacking energy: -73.520
Base-Backbone interact. energy: -0.016
local terms energy: -75.019537
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -206.264611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.264611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.264611 (E_RNA)
where:
Base-Base interactions energy: -132.312
where: short stacking energy: -56.830
Base-Backbone interact. energy: -0.007
local terms energy: -73.945169
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -180.629197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.629197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.629197 (E_RNA)
where:
Base-Base interactions energy: -117.031
where: short stacking energy: -51.684
Base-Backbone interact. energy: -0.521
local terms energy: -63.077578
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -167.112869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.112869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.112869 (E_RNA)
where:
Base-Base interactions energy: -101.945
where: short stacking energy: -40.897
Base-Backbone interact. energy: -0.361
local terms energy: -64.807572
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -146.871015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.871015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.871015 (E_RNA)
where:
Base-Base interactions energy: -97.435
where: short stacking energy: -52.708
Base-Backbone interact. energy: 0.516
local terms energy: -49.952099
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -131.581557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.581557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.581557 (E_RNA)
where:
Base-Base interactions energy: -79.004
where: short stacking energy: -37.004
Base-Backbone interact. energy: -0.147
local terms energy: -52.430944
where:
bonds (distance) C4'-P energy: -8.210
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -86.170798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.170798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.170798 (E_RNA)
where:
Base-Base interactions energy: -39.171
where: short stacking energy: -26.128
Base-Backbone interact. energy: -0.305
local terms energy: -46.694478
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -1.728
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: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -76.443003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.443003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.443003 (E_RNA)
where:
Base-Base interactions energy: -32.169
where: short stacking energy: -28.326
Base-Backbone interact. energy: -0.102
local terms energy: -44.171723
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -225.599511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.599511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.599511 (E_RNA)
where:
Base-Base interactions energy: -152.705
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.432
local terms energy: -72.462492
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -220.996406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.996406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.996406 (E_RNA)
where:
Base-Base interactions energy: -151.895
where: short stacking energy: -64.335
Base-Backbone interact. energy: -0.043
local terms energy: -69.058548
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -189.069003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.069003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.069003 (E_RNA)
where:
Base-Base interactions energy: -131.526
where: short stacking energy: -48.959
Base-Backbone interact. energy: -0.191
local terms energy: -57.351748
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -201.324878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.324878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.324878 (E_RNA)
where:
Base-Base interactions energy: -135.964
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.014
local terms energy: -65.347002
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -193.856703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.856703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.856703 (E_RNA)
where:
Base-Base interactions energy: -118.109
where: short stacking energy: -58.855
Base-Backbone interact. energy: -0.001
local terms energy: -75.746443
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -175.815558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.815558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.815558 (E_RNA)
where:
Base-Base interactions energy: -117.472
where: short stacking energy: -56.191
Base-Backbone interact. energy: -0.100
local terms energy: -58.243682
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -9.444
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -158.375229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.375229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.375229 (E_RNA)
where:
Base-Base interactions energy: -94.349
where: short stacking energy: -39.220
Base-Backbone interact. energy: -0.130
local terms energy: -63.896518
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -133.212603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.212603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.212603 (E_RNA)
where:
Base-Base interactions energy: -90.053
where: short stacking energy: -34.837
Base-Backbone interact. energy: -0.166
local terms energy: -42.993508
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -86.021151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.021151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.021151 (E_RNA)
where:
Base-Base interactions energy: -28.673
where: short stacking energy: -24.907
Base-Backbone interact. energy: -0.008
local terms energy: -57.340066
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -83.566714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.566714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.566714 (E_RNA)
where:
Base-Base interactions energy: -33.244
where: short stacking energy: -30.120
Base-Backbone interact. energy: -0.115
local terms energy: -50.207871
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -217.988384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.988384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.988384 (E_RNA)
where:
Base-Base interactions energy: -152.249
where: short stacking energy: -61.058
Base-Backbone interact. energy: -0.013
local terms energy: -65.725965
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -222.147347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.147347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.147347 (E_RNA)
where:
Base-Base interactions energy: -148.415
where: short stacking energy: -68.254
Base-Backbone interact. energy: -0.568
local terms energy: -73.164640
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -202.760377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.760377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.760377 (E_RNA)
where:
Base-Base interactions energy: -128.489
where: short stacking energy: -61.957
Base-Backbone interact. energy: -0.003
local terms energy: -74.268555
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -8.538
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: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -208.175311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.175311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.175311 (E_RNA)
where:
Base-Base interactions energy: -137.139
where: short stacking energy: -60.032
Base-Backbone interact. energy: -0.008
local terms energy: -71.028486
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -181.960486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.960486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.960486 (E_RNA)
where:
Base-Base interactions energy: -109.933
where: short stacking energy: -57.608
Base-Backbone interact. energy: 2.097
local terms energy: -74.124199
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -156.956871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.956871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.956871 (E_RNA)
where:
Base-Base interactions energy: -87.711
where: short stacking energy: -50.447
Base-Backbone interact. energy: -0.068
local terms energy: -69.177811
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -166.379482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.379482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.379482 (E_RNA)
where:
Base-Base interactions energy: -112.940
where: short stacking energy: -46.067
Base-Backbone interact. energy: -0.030
local terms energy: -53.409815
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -7.580
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: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -86.643210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.643210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.643210 (E_RNA)
where:
Base-Base interactions energy: -33.233
where: short stacking energy: -33.533
Base-Backbone interact. energy: 0.497
local terms energy: -53.907671
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -76.664304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.664304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.664304 (E_RNA)
where:
Base-Base interactions energy: -25.990
where: short stacking energy: -19.584
Base-Backbone interact. energy: -0.970
local terms energy: -49.703967
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -77.620451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.620451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.620451 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -26.555
Base-Backbone interact. energy: 0.234
local terms energy: -43.934727
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: -0.552
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: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -234.949149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.949149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.949149 (E_RNA)
where:
Base-Base interactions energy: -151.972
where: short stacking energy: -79.293
Base-Backbone interact. energy: -0.011
local terms energy: -82.965913
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -221.000223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.000223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.000223 (E_RNA)
where:
Base-Base interactions energy: -146.615
where: short stacking energy: -65.603
Base-Backbone interact. energy: -0.207
local terms energy: -74.178441
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -21.871
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: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -212.695004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.695004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.695004 (E_RNA)
where:
Base-Base interactions energy: -141.370
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.451
local terms energy: -70.874233
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -206.747920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.747920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.747920 (E_RNA)
where:
Base-Base interactions energy: -135.963
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.007
local terms energy: -70.778174
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -184.668172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.668172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.668172 (E_RNA)
where:
Base-Base interactions energy: -127.503
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.354
local terms energy: -56.810758
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -161.656460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.656460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.656460 (E_RNA)
where:
Base-Base interactions energy: -97.420
where: short stacking energy: -54.414
Base-Backbone interact. energy: 0.148
local terms energy: -64.383708
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -135.318167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.318167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.318167 (E_RNA)
where:
Base-Base interactions energy: -73.859
where: short stacking energy: -37.189
Base-Backbone interact. energy: 0.986
local terms energy: -62.445362
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -93.575457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.575457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.575457 (E_RNA)
where:
Base-Base interactions energy: -33.279
where: short stacking energy: -23.835
Base-Backbone interact. energy: 1.320
local terms energy: -61.616193
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -88.390477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.390477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.390477 (E_RNA)
where:
Base-Base interactions energy: -42.992
where: short stacking energy: -26.137
Base-Backbone interact. energy: -1.801
local terms energy: -43.596685
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -96.762457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.762457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.762457 (E_RNA)
where:
Base-Base interactions energy: -45.677
where: short stacking energy: -27.687
Base-Backbone interact. energy: -0.909
local terms energy: -50.176553
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -2.386
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: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -221.761501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.761501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.761501 (E_RNA)
where:
Base-Base interactions energy: -147.076
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.319
local terms energy: -74.366733
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -223.562949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.562949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.562949 (E_RNA)
where:
Base-Base interactions energy: -145.382
where: short stacking energy: -73.764
Base-Backbone interact. energy: -0.031
local terms energy: -78.150318
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -9.973
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: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -214.953783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.953783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.953783 (E_RNA)
where:
Base-Base interactions energy: -141.196
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.136
local terms energy: -73.622105
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -208.774892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.774892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.774892 (E_RNA)
where:
Base-Base interactions energy: -138.303
where: short stacking energy: -69.835
Base-Backbone interact. energy: -0.350
local terms energy: -70.121774
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -160.366356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.366356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.366356 (E_RNA)
where:
Base-Base interactions energy: -100.768
where: short stacking energy: -47.929
Base-Backbone interact. energy: -0.034
local terms energy: -59.564122
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -7.816
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -150.855925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.855925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.855925 (E_RNA)
where:
Base-Base interactions energy: -93.292
where: short stacking energy: -50.822
Base-Backbone interact. energy: 1.806
local terms energy: -59.370271
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -8.402
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: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -148.105700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.105700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.105700 (E_RNA)
where:
Base-Base interactions energy: -87.553
where: short stacking energy: -48.978
Base-Backbone interact. energy: -0.008
local terms energy: -60.544953
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -126.169593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.169593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.169593 (E_RNA)
where:
Base-Base interactions energy: -78.517
where: short stacking energy: -26.328
Base-Backbone interact. energy: -0.342
local terms energy: -47.310474
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -78.528097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.528097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.528097 (E_RNA)
where:
Base-Base interactions energy: -28.629
where: short stacking energy: -29.196
Base-Backbone interact. energy: 0.733
local terms energy: -50.632560
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -77.155224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.155224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.155224 (E_RNA)
where:
Base-Base interactions energy: -30.397
where: short stacking energy: -29.556
Base-Backbone interact. energy: -0.048
local terms energy: -46.710020
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -3.951
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: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -228.565988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.565988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.565988 (E_RNA)
where:
Base-Base interactions energy: -142.249
where: short stacking energy: -70.790
Base-Backbone interact. energy: -1.666
local terms energy: -84.651219
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -227.891131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.891131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.891131 (E_RNA)
where:
Base-Base interactions energy: -141.907
where: short stacking energy: -68.875
Base-Backbone interact. energy: -0.534
local terms energy: -85.450262
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -23.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -205.336818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.336818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.336818 (E_RNA)
where:
Base-Base interactions energy: -133.623
where: short stacking energy: -53.623
Base-Backbone interact. energy: -1.124
local terms energy: -70.589944
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -205.765600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.765600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.765600 (E_RNA)
where:
Base-Base interactions energy: -141.763
where: short stacking energy: -48.952
Base-Backbone interact. energy: -0.387
local terms energy: -63.615629
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -148.877111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.877111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.877111 (E_RNA)
where:
Base-Base interactions energy: -87.534
where: short stacking energy: -57.433
Base-Backbone interact. energy: -0.018
local terms energy: -61.325095
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -13.586
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: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -170.746448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.746448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.746448 (E_RNA)
where:
Base-Base interactions energy: -100.663
where: short stacking energy: -54.888
Base-Backbone interact. energy: -0.041
local terms energy: -70.042111
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -161.120115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.120115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.120115 (E_RNA)
where:
Base-Base interactions energy: -88.471
where: short stacking energy: -39.369
Base-Backbone interact. energy: -0.411
local terms energy: -72.238191
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -78.573775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.573775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.573775 (E_RNA)
where:
Base-Base interactions energy: -25.092
where: short stacking energy: -24.413
Base-Backbone interact. energy: -0.360
local terms energy: -53.122054
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -0.081
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: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -81.442987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.442987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.442987 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -28.502
Base-Backbone interact. energy: -0.093
local terms energy: -49.324860
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -11.823
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: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -72.872573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.872573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.872573 (E_RNA)
where:
Base-Base interactions energy: -33.595
where: short stacking energy: -23.896
Base-Backbone interact. energy: 1.327
local terms energy: -40.604939
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -4.200
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -222.413134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.413134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.413134 (E_RNA)
where:
Base-Base interactions energy: -142.983
where: short stacking energy: -64.645
Base-Backbone interact. energy: -0.243
local terms energy: -79.187235
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -22.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -221.499252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.499252 (E_RNA)
where:
Base-Base interactions energy: -150.416
where: short stacking energy: -76.715
Base-Backbone interact. energy: -0.004
local terms energy: -71.078882
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -19.369
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: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -204.415175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.415175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.415175 (E_RNA)
where:
Base-Base interactions energy: -139.305
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.974
local terms energy: -64.136504
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -14.526
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: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -207.645119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.645119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.645119 (E_RNA)
where:
Base-Base interactions energy: -132.460
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.001
local terms energy: -75.184408
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -171.191594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.191594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.191594 (E_RNA)
where:
Base-Base interactions energy: -104.995
where: short stacking energy: -54.649
Base-Backbone interact. energy: -0.334
local terms energy: -65.862985
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -11.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -175.885898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.885898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.885898 (E_RNA)
where:
Base-Base interactions energy: -111.928
where: short stacking energy: -52.739
Base-Backbone interact. energy: -0.311
local terms energy: -63.647007
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -151.604521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.604521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.604521 (E_RNA)
where:
Base-Base interactions energy: -88.490
where: short stacking energy: -47.234
Base-Backbone interact. energy: 1.451
local terms energy: -64.565350
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -116.922678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.922678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.922678 (E_RNA)
where:
Base-Base interactions energy: -56.623
where: short stacking energy: -31.725
Base-Backbone interact. energy: -1.240
local terms energy: -59.058931
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -8.033
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: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -81.173181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.173181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.173181 (E_RNA)
where:
Base-Base interactions energy: -37.577
where: short stacking energy: -18.723
Base-Backbone interact. energy: -0.234
local terms energy: -43.361803
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -5.688
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -0.778
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: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -80.859727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.859727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.859727 (E_RNA)
where:
Base-Base interactions energy: -27.955
where: short stacking energy: -27.955
Base-Backbone interact. energy: -0.164
local terms energy: -52.740574
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -225.581737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.581737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.581737 (E_RNA)
where:
Base-Base interactions energy: -148.913
where: short stacking energy: -73.066
Base-Backbone interact. energy: -0.004
local terms energy: -76.664272
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -224.775877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.775877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.775877 (E_RNA)
where:
Base-Base interactions energy: -143.312
where: short stacking energy: -67.810
Base-Backbone interact. energy: -0.894
local terms energy: -80.569832
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -22.553
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: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -209.078917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.078917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.078917 (E_RNA)
where:
Base-Base interactions energy: -143.598
where: short stacking energy: -62.964
Base-Backbone interact. energy: 0.154
local terms energy: -65.634967
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -210.388059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.388059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.388059 (E_RNA)
where:
Base-Base interactions energy: -139.562
where: short stacking energy: -62.210
Base-Backbone interact. energy: -0.311
local terms energy: -70.514635
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -159.439172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.439172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.439172 (E_RNA)
where:
Base-Base interactions energy: -101.233
where: short stacking energy: -50.179
Base-Backbone interact. energy: -0.229
local terms energy: -57.976941
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -8.154
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: 294
Temperature: 1.150000
Total energy: -156.593456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.593456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.593456 (E_RNA)
where:
Base-Base interactions energy: -92.578
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.717
local terms energy: -63.297905
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -8.321
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -12.434
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: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -122.526569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.526569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.526569 (E_RNA)
where:
Base-Base interactions energy: -67.149
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.173
local terms energy: -55.204056
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -8.648
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: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -102.263330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.263330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.263330 (E_RNA)
where:
Base-Base interactions energy: -57.351
where: short stacking energy: -38.841
Base-Backbone interact. energy: -0.014
local terms energy: -44.898489
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -3.358
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -89.299894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.299894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.299894 (E_RNA)
where:
Base-Base interactions energy: -37.803
where: short stacking energy: -36.580
Base-Backbone interact. energy: -0.112
local terms energy: -51.384301
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -7.924
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -76.405942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405942 (E_RNA)
where:
Base-Base interactions energy: -35.716
where: short stacking energy: -25.288
Base-Backbone interact. energy: -0.046
local terms energy: -40.643625
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -4.422
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: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -218.489534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.489534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.489534 (E_RNA)
where:
Base-Base interactions energy: -141.437
where: short stacking energy: -71.567
Base-Backbone interact. energy: 0.995
local terms energy: -78.047882
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -214.609233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.609233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.609233 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -57.088
Base-Backbone interact. energy: -1.254
local terms energy: -74.132827
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.789
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: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -213.376507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.376507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.376507 (E_RNA)
where:
Base-Base interactions energy: -142.281
where: short stacking energy: -64.143
Base-Backbone interact. energy: -1.957
local terms energy: -69.138580
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -211.364683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.364683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.364683 (E_RNA)
where:
Base-Base interactions energy: -137.076
where: short stacking energy: -56.649
Base-Backbone interact. energy: -0.081
local terms energy: -74.207961
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -146.745564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.745564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.745564 (E_RNA)
where:
Base-Base interactions energy: -82.612
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.073
local terms energy: -64.060547
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -151.220700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.220700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.220700 (E_RNA)
where:
Base-Base interactions energy: -89.559
where: short stacking energy: -45.878
Base-Backbone interact. energy: -0.177
local terms energy: -61.484614
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -132.368337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.368337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.368337 (E_RNA)
where:
Base-Base interactions energy: -76.423
where: short stacking energy: -46.132
Base-Backbone interact. energy: -0.010
local terms energy: -55.935134
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -91.232403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.232403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.232403 (E_RNA)
where:
Base-Base interactions energy: -39.204
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.161
local terms energy: -51.868166
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -79.367437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.367437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.367437 (E_RNA)
where:
Base-Base interactions energy: -21.176
where: short stacking energy: -15.068
Base-Backbone interact. energy: -2.436
local terms energy: -55.755170
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -85.770213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.770213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.770213 (E_RNA)
where:
Base-Base interactions energy: -41.723
where: short stacking energy: -16.510
Base-Backbone interact. energy: -0.051
local terms energy: -43.996603
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: 0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -222.860383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.860383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.860383 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -75.596
Base-Backbone interact. energy: -0.053
local terms energy: -75.626238
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -9.392
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: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -222.316327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.316327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.316327 (E_RNA)
where:
Base-Base interactions energy: -153.380
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.005
local terms energy: -68.931797
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -207.305722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.305722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.305722 (E_RNA)
where:
Base-Base interactions energy: -138.197
where: short stacking energy: -59.085
Base-Backbone interact. energy: 0.509
local terms energy: -69.617077
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -218.735242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.735242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.735242 (E_RNA)
where:
Base-Base interactions energy: -145.539
where: short stacking energy: -66.505
Base-Backbone interact. energy: 0.301
local terms energy: -73.496399
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -170.064580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.064580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.064580 (E_RNA)
where:
Base-Base interactions energy: -100.528
where: short stacking energy: -55.159
Base-Backbone interact. energy: -0.395
local terms energy: -69.141618
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -161.900134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.900134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.900134 (E_RNA)
where:
Base-Base interactions energy: -105.209
where: short stacking energy: -51.545
Base-Backbone interact. energy: -0.381
local terms energy: -56.310621
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -90.051352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.051352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.051352 (E_RNA)
where:
Base-Base interactions energy: -43.464
where: short stacking energy: -35.931
Base-Backbone interact. energy: -0.636
local terms energy: -45.951269
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -4.046
tors. eta vs tors. theta energy: -5.402
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: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -86.601849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.601849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.601849 (E_RNA)
where:
Base-Base interactions energy: -35.412
where: short stacking energy: -35.412
Base-Backbone interact. energy: -0.044
local terms energy: -51.145770
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -82.153101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.153101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.153101 (E_RNA)
where:
Base-Base interactions energy: -24.818
where: short stacking energy: -25.418
Base-Backbone interact. energy: 0.190
local terms energy: -57.525318
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -73.543059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.543059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.543059 (E_RNA)
where:
Base-Base interactions energy: -23.111
where: short stacking energy: -18.260
Base-Backbone interact. energy: 0.596
local terms energy: -51.027882
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -223.421490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.421490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.421490 (E_RNA)
where:
Base-Base interactions energy: -141.795
where: short stacking energy: -70.670
Base-Backbone interact. energy: -0.012
local terms energy: -81.615263
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -20.409
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: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -217.969282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.969282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.969282 (E_RNA)
where:
Base-Base interactions energy: -138.594
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.199
local terms energy: -79.175705
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -21.060
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: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -216.253600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.253600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.253600 (E_RNA)
where:
Base-Base interactions energy: -141.825
where: short stacking energy: -68.353
Base-Backbone interact. energy: -0.063
local terms energy: -74.366230
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -212.845511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.845511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.845511 (E_RNA)
where:
Base-Base interactions energy: -144.190
where: short stacking energy: -66.059
Base-Backbone interact. energy: 0.668
local terms energy: -69.322758
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -161.010452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.010452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.010452 (E_RNA)
where:
Base-Base interactions energy: -103.395
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.126
local terms energy: -57.489646
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -103.332107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.332107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.332107 (E_RNA)
where:
Base-Base interactions energy: -43.314
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.076
local terms energy: -59.942297
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -151.893328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.893328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.893328 (E_RNA)
where:
Base-Base interactions energy: -94.686
where: short stacking energy: -44.215
Base-Backbone interact. energy: -0.280
local terms energy: -56.927487
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -107.812988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.812988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.812988 (E_RNA)
where:
Base-Base interactions energy: -61.176
where: short stacking energy: -36.253
Base-Backbone interact. energy: -0.101
local terms energy: -46.536043
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -89.428878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.428878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.428878 (E_RNA)
where:
Base-Base interactions energy: -31.458
where: short stacking energy: -27.593
Base-Backbone interact. energy: 0.042
local terms energy: -58.013013
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -81.786884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.786884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.786884 (E_RNA)
where:
Base-Base interactions energy: -28.338
where: short stacking energy: -26.427
Base-Backbone interact. energy: 1.702
local terms energy: -55.150326
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -6.615
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: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -213.993837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.993837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.993837 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -68.114
Base-Backbone interact. energy: -0.013
local terms energy: -78.093916
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -12.191
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: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -220.758183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.758183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.758183 (E_RNA)
where:
Base-Base interactions energy: -147.632
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.557
local terms energy: -72.568843
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -215.365956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.365956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.365956 (E_RNA)
where:
Base-Base interactions energy: -137.670
where: short stacking energy: -61.019
Base-Backbone interact. energy: -1.603
local terms energy: -76.093431
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -22.210
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: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -204.455737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.455737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.455737 (E_RNA)
where:
Base-Base interactions energy: -129.922
where: short stacking energy: -54.710
Base-Backbone interact. energy: -0.852
local terms energy: -73.681229
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -19.442
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: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -161.268196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.268196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.268196 (E_RNA)
where:
Base-Base interactions energy: -96.880
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.062
local terms energy: -64.326689
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -112.928142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.928142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.928142 (E_RNA)
where:
Base-Base interactions energy: -67.175
where: short stacking energy: -31.802
Base-Backbone interact. energy: 1.162
local terms energy: -46.916031
where:
bonds (distance) C4'-P energy: -6.324
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -123.776961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.776961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.776961 (E_RNA)
where:
Base-Base interactions energy: -75.557
where: short stacking energy: -38.529
Base-Backbone interact. energy: -0.218
local terms energy: -48.002315
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -102.342909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.342909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.342909 (E_RNA)
where:
Base-Base interactions energy: -51.948
where: short stacking energy: -43.672
Base-Backbone interact. energy: -0.167
local terms energy: -50.228543
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -7.513
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -76.377946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.377946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.377946 (E_RNA)
where:
Base-Base interactions energy: -24.174
where: short stacking energy: -16.257
Base-Backbone interact. energy: -0.220
local terms energy: -51.983678
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -97.459161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.459161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.459161 (E_RNA)
where:
Base-Base interactions energy: -45.933
where: short stacking energy: -29.843
Base-Backbone interact. energy: -0.447
local terms energy: -51.079352
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -214.151016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.151016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.151016 (E_RNA)
where:
Base-Base interactions energy: -137.492
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.051
local terms energy: -76.607367
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -222.685427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.685427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.685427 (E_RNA)
where:
Base-Base interactions energy: -145.306
where: short stacking energy: -68.933
Base-Backbone interact. energy: -0.019
local terms energy: -77.360636
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -213.382085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.382085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.382085 (E_RNA)
where:
Base-Base interactions energy: -141.002
where: short stacking energy: -72.762
Base-Backbone interact. energy: -0.063
local terms energy: -72.317421
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -212.042445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.042445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.042445 (E_RNA)
where:
Base-Base interactions energy: -139.036
where: short stacking energy: -52.238
Base-Backbone interact. energy: -1.589
local terms energy: -71.417311
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -168.405116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.405116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.405116 (E_RNA)
where:
Base-Base interactions energy: -95.388
where: short stacking energy: -47.987
Base-Backbone interact. energy: -0.581
local terms energy: -72.436747
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -10.211
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: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -106.370171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.370171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.370171 (E_RNA)
where:
Base-Base interactions energy: -46.975
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.718
local terms energy: -58.676767
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -119.539186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.539186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.539186 (E_RNA)
where:
Base-Base interactions energy: -64.204
where: short stacking energy: -33.082
Base-Backbone interact. energy: -0.122
local terms energy: -55.213695
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -0.562
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -118.785741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.785741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.785741 (E_RNA)
where:
Base-Base interactions energy: -69.549
where: short stacking energy: -41.102
Base-Backbone interact. energy: -0.203
local terms energy: -49.034381
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -82.071639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.071639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.071639 (E_RNA)
where:
Base-Base interactions energy: -36.535
where: short stacking energy: -31.777
Base-Backbone interact. energy: 0.853
local terms energy: -46.390288
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -8.936
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -75.707351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.707351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.707351 (E_RNA)
where:
Base-Base interactions energy: -25.261
where: short stacking energy: -17.513
Base-Backbone interact. energy: 0.019
local terms energy: -50.464897
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -225.926986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.926986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.926986 (E_RNA)
where:
Base-Base interactions energy: -142.710
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.099
local terms energy: -83.117841
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -210.288018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.288018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.288018 (E_RNA)
where:
Base-Base interactions energy: -135.598
where: short stacking energy: -62.389
Base-Backbone interact. energy: -1.043
local terms energy: -73.647210
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -208.588599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.588599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.588599 (E_RNA)
where:
Base-Base interactions energy: -137.800
where: short stacking energy: -59.091
Base-Backbone interact. energy: -1.866
local terms energy: -68.922677
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -17.237
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: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -203.686802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.686802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.686802 (E_RNA)
where:
Base-Base interactions energy: -126.457
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.150
local terms energy: -77.080195
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -167.298252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.298252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.298252 (E_RNA)
where:
Base-Base interactions energy: -99.731
where: short stacking energy: -56.377
Base-Backbone interact. energy: -0.005
local terms energy: -67.562905
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -12.117
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -104.908566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.908566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.908566 (E_RNA)
where:
Base-Base interactions energy: -54.714
where: short stacking energy: -41.258
Base-Backbone interact. energy: 3.387
local terms energy: -53.581385
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -136.713543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.713543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.713543 (E_RNA)
where:
Base-Base interactions energy: -73.168
where: short stacking energy: -46.848
Base-Backbone interact. energy: -0.951
local terms energy: -62.594991
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -89.581512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.581512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.581512 (E_RNA)
where:
Base-Base interactions energy: -45.856
where: short stacking energy: -24.700
Base-Backbone interact. energy: 0.287
local terms energy: -44.012281
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -90.103222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.103222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.103222 (E_RNA)
where:
Base-Base interactions energy: -45.756
where: short stacking energy: -15.023
Base-Backbone interact. energy: 0.830
local terms energy: -45.177134
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: 2.631
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: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -75.385810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.385810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.385810 (E_RNA)
where:
Base-Base interactions energy: -24.796
where: short stacking energy: -16.204
Base-Backbone interact. energy: -0.123
local terms energy: -50.466614
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -11.949
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: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -230.892243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.892243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.892243 (E_RNA)
where:
Base-Base interactions energy: -149.389
where: short stacking energy: -77.819
Base-Backbone interact. energy: -0.008
local terms energy: -81.495224
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -221.505865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.505865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.505865 (E_RNA)
where:
Base-Base interactions energy: -143.991
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.141
local terms energy: -77.373397
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -208.610855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.610855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.610855 (E_RNA)
where:
Base-Base interactions energy: -137.313
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.109
local terms energy: -71.189121
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -199.263518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.263518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.263518 (E_RNA)
where:
Base-Base interactions energy: -134.061
where: short stacking energy: -44.917
Base-Backbone interact. energy: 0.032
local terms energy: -65.234238
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -178.288277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.288277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.288277 (E_RNA)
where:
Base-Base interactions energy: -114.844
where: short stacking energy: -62.017
Base-Backbone interact. energy: -0.008
local terms energy: -63.436801
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -12.660
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: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -105.239943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.239943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.239943 (E_RNA)
where:
Base-Base interactions energy: -53.095
where: short stacking energy: -33.127
Base-Backbone interact. energy: 0.297
local terms energy: -52.441047
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -97.000606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.000606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.000606 (E_RNA)
where:
Base-Base interactions energy: -57.360
where: short stacking energy: -37.715
Base-Backbone interact. energy: -0.055
local terms energy: -39.585978
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -4.907
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -113.042664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.042664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.042664 (E_RNA)
where:
Base-Base interactions energy: -61.131
where: short stacking energy: -35.279
Base-Backbone interact. energy: -0.182
local terms energy: -51.729326
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -6.093
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: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -99.890102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.890102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.890102 (E_RNA)
where:
Base-Base interactions energy: -52.625
where: short stacking energy: -30.157
Base-Backbone interact. energy: -0.073
local terms energy: -47.192990
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: 0.835
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -89.424278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.424278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.424278 (E_RNA)
where:
Base-Base interactions energy: -36.667
where: short stacking energy: -36.667
Base-Backbone interact. energy: -0.277
local terms energy: -52.480089
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -222.299054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.299054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.299054 (E_RNA)
where:
Base-Base interactions energy: -146.773
where: short stacking energy: -71.416
Base-Backbone interact. energy: -0.078
local terms energy: -75.447591
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -204.640377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.640377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.640377 (E_RNA)
where:
Base-Base interactions energy: -130.137
where: short stacking energy: -58.160
Base-Backbone interact. energy: -0.003
local terms energy: -74.501082
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -214.464555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.464555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464555 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.443
local terms energy: -71.490664
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -195.476176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.476176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.476176 (E_RNA)
where:
Base-Base interactions energy: -131.405
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.170
local terms energy: -63.901349
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -8.625
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: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -158.435227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.435227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.435227 (E_RNA)
where:
Base-Base interactions energy: -97.143
where: short stacking energy: -48.370
Base-Backbone interact. energy: -0.118
local terms energy: -61.174880
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -101.250661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.250661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.250661 (E_RNA)
where:
Base-Base interactions energy: -47.857
where: short stacking energy: -39.098
Base-Backbone interact. energy: -0.098
local terms energy: -53.295143
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -141.153000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.153000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.153000 (E_RNA)
where:
Base-Base interactions energy: -73.444
where: short stacking energy: -48.203
Base-Backbone interact. energy: -0.008
local terms energy: -67.700452
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -91.892191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.892191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.892191 (E_RNA)
where:
Base-Base interactions energy: -45.932
where: short stacking energy: -44.783
Base-Backbone interact. energy: 0.497
local terms energy: -46.457394
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -105.323968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.323968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.323968 (E_RNA)
where:
Base-Base interactions energy: -54.828
where: short stacking energy: -32.879
Base-Backbone interact. energy: -0.739
local terms energy: -49.756389
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -77.308249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.308249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.308249 (E_RNA)
where:
Base-Base interactions energy: -29.275
where: short stacking energy: -24.576
Base-Backbone interact. energy: -0.201
local terms energy: -47.832187
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -223.327188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.327188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.327188 (E_RNA)
where:
Base-Base interactions energy: -141.887
where: short stacking energy: -69.342
Base-Backbone interact. energy: -0.461
local terms energy: -80.978771
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -217.656512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.656512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.656512 (E_RNA)
where:
Base-Base interactions energy: -142.467
where: short stacking energy: -55.120
Base-Backbone interact. energy: -2.648
local terms energy: -72.541588
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -188.118628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.118628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.118628 (E_RNA)
where:
Base-Base interactions energy: -124.400
where: short stacking energy: -56.460
Base-Backbone interact. energy: -0.559
local terms energy: -63.159602
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -5.814
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: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -203.804463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.804463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.804463 (E_RNA)
where:
Base-Base interactions energy: -140.500
where: short stacking energy: -56.992
Base-Backbone interact. energy: -0.745
local terms energy: -62.558681
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -170.842153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.842153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.842153 (E_RNA)
where:
Base-Base interactions energy: -106.874
where: short stacking energy: -48.107
Base-Backbone interact. energy: -0.778
local terms energy: -63.190434
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -139.878741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.878741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.878741 (E_RNA)
where:
Base-Base interactions energy: -90.512
where: short stacking energy: -41.382
Base-Backbone interact. energy: -0.038
local terms energy: -49.328640
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -8.636
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -96.524293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.524293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.524293 (E_RNA)
where:
Base-Base interactions energy: -41.803
where: short stacking energy: -38.806
Base-Backbone interact. energy: 1.213
local terms energy: -55.933617
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -5.805
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: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -88.024740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.024740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.024740 (E_RNA)
where:
Base-Base interactions energy: -37.503
where: short stacking energy: -24.510
Base-Backbone interact. energy: -0.325
local terms energy: -50.196766
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -80.593831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.593831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.593831 (E_RNA)
where:
Base-Base interactions energy: -34.518
where: short stacking energy: -22.647
Base-Backbone interact. energy: -0.128
local terms energy: -45.948220
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -7.746
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: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -72.420792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.420792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.420792 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -28.290
Base-Backbone interact. energy: 0.382
local terms energy: -44.557007
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -226.206618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.206618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.206618 (E_RNA)
where:
Base-Base interactions energy: -151.081
where: short stacking energy: -70.922
Base-Backbone interact. energy: -0.092
local terms energy: -75.033402
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -218.786098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.786098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.786098 (E_RNA)
where:
Base-Base interactions energy: -142.643
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.435
local terms energy: -75.708210
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -220.597317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.597317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.597317 (E_RNA)
where:
Base-Base interactions energy: -144.382
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.306
local terms energy: -75.909488
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.537
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: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -201.908994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.908994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.908994 (E_RNA)
where:
Base-Base interactions energy: -136.757
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.066
local terms energy: -65.086132
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -178.277530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.277530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.277530 (E_RNA)
where:
Base-Base interactions energy: -106.462
where: short stacking energy: -59.977
Base-Backbone interact. energy: -0.583
local terms energy: -71.232597
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -141.059501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.059501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.059501 (E_RNA)
where:
Base-Base interactions energy: -78.823
where: short stacking energy: -43.836
Base-Backbone interact. energy: -0.217
local terms energy: -62.019102
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -9.650
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: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -82.321258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.321258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.321258 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -22.336
Base-Backbone interact. energy: -0.337
local terms energy: -51.875056
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -95.185012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.185012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.185012 (E_RNA)
where:
Base-Base interactions energy: -34.334
where: short stacking energy: -33.224
Base-Backbone interact. energy: -0.123
local terms energy: -60.727656
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -81.263293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.263293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.263293 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -24.030
Base-Backbone interact. energy: 0.437
local terms energy: -45.773606
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -6.309
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -2.793
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: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -81.173865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.173865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.173865 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -32.561
Base-Backbone interact. energy: 0.758
local terms energy: -49.371016
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -232.467748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.467748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.467748 (E_RNA)
where:
Base-Base interactions energy: -155.070
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.097
local terms energy: -77.300898
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -218.852156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.852156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.852156 (E_RNA)
where:
Base-Base interactions energy: -145.516
where: short stacking energy: -70.403
Base-Backbone interact. energy: -0.013
local terms energy: -73.322690
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -7.630
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: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -202.605103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.605103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.605103 (E_RNA)
where:
Base-Base interactions energy: -137.194
where: short stacking energy: -69.256
Base-Backbone interact. energy: -0.264
local terms energy: -65.147225
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -8.630
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -191.597541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.597541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.597541 (E_RNA)
where:
Base-Base interactions energy: -119.085
where: short stacking energy: -52.430
Base-Backbone interact. energy: -0.301
local terms energy: -72.211863
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -9.841
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: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -181.704289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.704289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.704289 (E_RNA)
where:
Base-Base interactions energy: -106.053
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.109
local terms energy: -75.542211
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -20.396
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: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -93.823496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.823496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.823496 (E_RNA)
where:
Base-Base interactions energy: -36.602
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.011
local terms energy: -57.210393
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -185.905475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.905475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.905475 (E_RNA)
where:
Base-Base interactions energy: -120.346
where: short stacking energy: -51.324
Base-Backbone interact. energy: -0.029
local terms energy: -65.529919
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -100.945435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.945435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.945435 (E_RNA)
where:
Base-Base interactions energy: -54.363
where: short stacking energy: -27.477
Base-Backbone interact. energy: -0.487
local terms energy: -46.095392
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: 1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -90.540776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.540776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.540776 (E_RNA)
where:
Base-Base interactions energy: -33.688
where: short stacking energy: -33.688
Base-Backbone interact. energy: -0.028
local terms energy: -56.824402
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -9.933
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: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -77.193901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.193901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.193901 (E_RNA)
where:
Base-Base interactions energy: -23.974
where: short stacking energy: -23.812
Base-Backbone interact. energy: -0.075
local terms energy: -53.144909
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -220.555307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.555307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.555307 (E_RNA)
where:
Base-Base interactions energy: -140.241
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.964
local terms energy: -79.350736
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -225.183520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.183520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.183520 (E_RNA)
where:
Base-Base interactions energy: -149.017
where: short stacking energy: -69.269
Base-Backbone interact. energy: -0.000
local terms energy: -76.166469
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -211.687399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.687399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.687399 (E_RNA)
where:
Base-Base interactions energy: -140.219
where: short stacking energy: -66.367
Base-Backbone interact. energy: -0.178
local terms energy: -71.290564
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -190.737640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.737640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.737640 (E_RNA)
where:
Base-Base interactions energy: -127.561
where: short stacking energy: -51.515
Base-Backbone interact. energy: -0.255
local terms energy: -62.921004
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -167.097936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.097936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.097936 (E_RNA)
where:
Base-Base interactions energy: -99.447
where: short stacking energy: -56.301
Base-Backbone interact. energy: -0.335
local terms energy: -67.315896
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -123.919902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.919902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.919902 (E_RNA)
where:
Base-Base interactions energy: -54.072
where: short stacking energy: -45.446
Base-Backbone interact. energy: -0.053
local terms energy: -69.795542
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -198.541730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.541730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.541730 (E_RNA)
where:
Base-Base interactions energy: -135.096
where: short stacking energy: -48.526
Base-Backbone interact. energy: -0.865
local terms energy: -62.580779
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -128.552710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.552710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.552710 (E_RNA)
where:
Base-Base interactions energy: -75.073
where: short stacking energy: -30.304
Base-Backbone interact. energy: 0.165
local terms energy: -53.644967
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -80.251441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.251441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.251441 (E_RNA)
where:
Base-Base interactions energy: -27.469
where: short stacking energy: -27.364
Base-Backbone interact. energy: -0.300
local terms energy: -52.482669
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -7.844
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: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -88.526485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.526485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.526485 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.009
local terms energy: -51.984258
where:
bonds (distance) C4'-P energy: -7.683
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -12.060
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: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -222.175492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.175492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.175492 (E_RNA)
where:
Base-Base interactions energy: -148.085
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.298
local terms energy: -73.792393
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -222.596715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.596715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.596715 (E_RNA)
where:
Base-Base interactions energy: -143.991
where: short stacking energy: -69.667
Base-Backbone interact. energy: -0.002
local terms energy: -78.604060
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -206.177367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.177367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.177367 (E_RNA)
where:
Base-Base interactions energy: -143.776
where: short stacking energy: -47.414
Base-Backbone interact. energy: -0.859
local terms energy: -61.542756
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -199.118921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.118921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.118921 (E_RNA)
where:
Base-Base interactions energy: -126.396
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.051
local terms energy: -72.672198
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -9.182
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: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -161.297428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.297428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.297428 (E_RNA)
where:
Base-Base interactions energy: -99.197
where: short stacking energy: -54.023
Base-Backbone interact. energy: -0.018
local terms energy: -62.082935
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -8.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -193.781453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.781453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.781453 (E_RNA)
where:
Base-Base interactions energy: -133.117
where: short stacking energy: -52.142
Base-Backbone interact. energy: -0.500
local terms energy: -60.163501
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -106.608707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.608707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.608707 (E_RNA)
where:
Base-Base interactions energy: -50.442
where: short stacking energy: -42.455
Base-Backbone interact. energy: -0.279
local terms energy: -55.886784
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -10.859
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: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -78.102357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.102357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.102357 (E_RNA)
where:
Base-Base interactions energy: -27.003
where: short stacking energy: -25.688
Base-Backbone interact. energy: -0.229
local terms energy: -50.870509
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -96.996124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.996124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.996124 (E_RNA)
where:
Base-Base interactions energy: -44.030
where: short stacking energy: -24.286
Base-Backbone interact. energy: -0.410
local terms energy: -52.555894
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -73.626438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.626438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.626438 (E_RNA)
where:
Base-Base interactions energy: -26.157
where: short stacking energy: -20.815
Base-Backbone interact. energy: 0.188
local terms energy: -47.657789
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -222.238637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.238637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.238637 (E_RNA)
where:
Base-Base interactions energy: -147.511
where: short stacking energy: -65.322
Base-Backbone interact. energy: -0.024
local terms energy: -74.703825
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -13.223
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: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -216.261870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.261870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.261870 (E_RNA)
where:
Base-Base interactions energy: -139.706
where: short stacking energy: -64.413
Base-Backbone interact. energy: -0.001
local terms energy: -76.555087
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -211.922431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.922431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.922431 (E_RNA)
where:
Base-Base interactions energy: -142.819
where: short stacking energy: -60.515
Base-Backbone interact. energy: -0.115
local terms energy: -68.988285
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -195.636771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.636771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.636771 (E_RNA)
where:
Base-Base interactions energy: -133.300
where: short stacking energy: -65.904
Base-Backbone interact. energy: -0.311
local terms energy: -62.026072
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -200.460437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.460437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.460437 (E_RNA)
where:
Base-Base interactions energy: -133.354
where: short stacking energy: -63.027
Base-Backbone interact. energy: 0.694
local terms energy: -67.800161
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -177.254869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.254869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.254869 (E_RNA)
where:
Base-Base interactions energy: -114.298
where: short stacking energy: -54.026
Base-Backbone interact. energy: -0.330
local terms energy: -62.626849
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -90.409346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409346 (E_RNA)
where:
Base-Base interactions energy: -43.921
where: short stacking energy: -36.872
Base-Backbone interact. energy: 0.245
local terms energy: -46.733788
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -77.143886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.143886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.143886 (E_RNA)
where:
Base-Base interactions energy: -34.474
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.161
local terms energy: -42.508731
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -1.030
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: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -82.152818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.152818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.152818 (E_RNA)
where:
Base-Base interactions energy: -35.642
where: short stacking energy: -19.615
Base-Backbone interact. energy: -0.146
local terms energy: -46.365585
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: 0.475
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: 308
Temperature: 1.350000
Total energy: -89.859516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.859516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.859516 (E_RNA)
where:
Base-Base interactions energy: -37.442
where: short stacking energy: -31.778
Base-Backbone interact. energy: -0.215
local terms energy: -52.202394
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -8.434
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: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -222.415081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.415081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.415081 (E_RNA)
where:
Base-Base interactions energy: -144.562
where: short stacking energy: -65.194
Base-Backbone interact. energy: -1.412
local terms energy: -76.441122
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -222.065504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.065504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.065504 (E_RNA)
where:
Base-Base interactions energy: -143.144
where: short stacking energy: -61.947
Base-Backbone interact. energy: -2.024
local terms energy: -76.897143
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -210.225519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.225519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.225519 (E_RNA)
where:
Base-Base interactions energy: -141.349
where: short stacking energy: -70.503
Base-Backbone interact. energy: -0.001
local terms energy: -68.875559
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -20.347
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: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -195.963622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.963622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.963622 (E_RNA)
where:
Base-Base interactions energy: -128.516
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.040
local terms energy: -67.408377
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -197.653848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.653848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.653848 (E_RNA)
where:
Base-Base interactions energy: -134.978
where: short stacking energy: -61.524
Base-Backbone interact. energy: -0.587
local terms energy: -62.088588
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -152.387050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.387050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.387050 (E_RNA)
where:
Base-Base interactions energy: -88.932
where: short stacking energy: -44.945
Base-Backbone interact. energy: -0.008
local terms energy: -63.446909
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -88.393848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.393848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.393848 (E_RNA)
where:
Base-Base interactions energy: -38.711
where: short stacking energy: -38.711
Base-Backbone interact. energy: -0.155
local terms energy: -49.528322
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -4.659
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: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -89.911784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.911784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.911784 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -34.981
Base-Backbone interact. energy: -1.034
local terms energy: -53.896557
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -6.260
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: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -81.869568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.869568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.869568 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -20.432
Base-Backbone interact. energy: 1.328
local terms energy: -51.438361
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -72.683696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.683696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.683696 (E_RNA)
where:
Base-Base interactions energy: -23.718
where: short stacking energy: -9.326
Base-Backbone interact. energy: -0.495
local terms energy: -48.470525
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -7.620
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: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -223.820248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.820248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.820248 (E_RNA)
where:
Base-Base interactions energy: -147.839
where: short stacking energy: -71.328
Base-Backbone interact. energy: -0.000
local terms energy: -75.980646
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -224.823140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.823140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.823140 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -69.238
Base-Backbone interact. energy: -2.145
local terms energy: -81.728555
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -22.095
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: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -214.755757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.755757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.755757 (E_RNA)
where:
Base-Base interactions energy: -144.117
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.978
local terms energy: -69.661229
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -202.585277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.585277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.585277 (E_RNA)
where:
Base-Base interactions energy: -128.722
where: short stacking energy: -62.976
Base-Backbone interact. energy: -0.229
local terms energy: -73.633783
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -18.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -166.571911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.571911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.571911 (E_RNA)
where:
Base-Base interactions energy: -96.789
where: short stacking energy: -50.268
Base-Backbone interact. energy: -0.739
local terms energy: -69.043953
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -208.329021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.329021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.329021 (E_RNA)
where:
Base-Base interactions energy: -144.371
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.426
local terms energy: -63.532231
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -84.787088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.787088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.787088 (E_RNA)
where:
Base-Base interactions energy: -41.531
where: short stacking energy: -26.904
Base-Backbone interact. energy: 0.650
local terms energy: -43.905883
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -82.254532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.254532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.254532 (E_RNA)
where:
Base-Base interactions energy: -29.689
where: short stacking energy: -25.412
Base-Backbone interact. energy: -1.797
local terms energy: -50.768462
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -78.482290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.482290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.482290 (E_RNA)
where:
Base-Base interactions energy: -32.360
where: short stacking energy: -28.496
Base-Backbone interact. energy: -0.262
local terms energy: -45.860346
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -7.882
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: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -75.395633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.395633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.395633 (E_RNA)
where:
Base-Base interactions energy: -33.611
where: short stacking energy: -27.842
Base-Backbone interact. energy: -0.020
local terms energy: -41.764470
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -230.081366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.081366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.081366 (E_RNA)
where:
Base-Base interactions energy: -146.934
where: short stacking energy: -70.268
Base-Backbone interact. energy: -0.508
local terms energy: -82.639402
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -22.142
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: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -216.374619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.374619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.374619 (E_RNA)
where:
Base-Base interactions energy: -144.165
where: short stacking energy: -67.806
Base-Backbone interact. energy: -0.097
local terms energy: -72.112955
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -215.277049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.277049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.277049 (E_RNA)
where:
Base-Base interactions energy: -144.005
where: short stacking energy: -66.857
Base-Backbone interact. energy: -0.038
local terms energy: -71.234467
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -198.697823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.697823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.697823 (E_RNA)
where:
Base-Base interactions energy: -121.242
where: short stacking energy: -56.479
Base-Backbone interact. energy: -0.983
local terms energy: -76.473195
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -151.402388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.402388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.402388 (E_RNA)
where:
Base-Base interactions energy: -82.743
where: short stacking energy: -38.938
Base-Backbone interact. energy: -1.029
local terms energy: -67.629925
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -159.102204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.102204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.102204 (E_RNA)
where:
Base-Base interactions energy: -98.740
where: short stacking energy: -42.169
Base-Backbone interact. energy: -0.581
local terms energy: -59.780487
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -89.940710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.940710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.940710 (E_RNA)
where:
Base-Base interactions energy: -45.889
where: short stacking energy: -30.154
Base-Backbone interact. energy: 1.267
local terms energy: -45.319166
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -83.634630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.634630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.634630 (E_RNA)
where:
Base-Base interactions energy: -28.882
where: short stacking energy: -28.882
Base-Backbone interact. energy: -0.860
local terms energy: -53.892856
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -86.054858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.054858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.054858 (E_RNA)
where:
Base-Base interactions energy: -34.723
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.242
local terms energy: -51.089876
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -77.239649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.239649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.239649 (E_RNA)
where:
Base-Base interactions energy: -28.570
where: short stacking energy: -22.047
Base-Backbone interact. energy: -0.366
local terms energy: -48.303277
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: 0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -217.792593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.792593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.792593 (E_RNA)
where:
Base-Base interactions energy: -147.139
where: short stacking energy: -56.847
Base-Backbone interact. energy: -0.020
local terms energy: -70.633608
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -213.084094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.084094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.084094 (E_RNA)
where:
Base-Base interactions energy: -138.196
where: short stacking energy: -67.621
Base-Backbone interact. energy: -0.028
local terms energy: -74.859836
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -19.758
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: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -213.630916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.630916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.630916 (E_RNA)
where:
Base-Base interactions energy: -141.531
where: short stacking energy: -69.126
Base-Backbone interact. energy: -0.023
local terms energy: -72.076890
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -208.818408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.818408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.818408 (E_RNA)
where:
Base-Base interactions energy: -139.385
where: short stacking energy: -72.876
Base-Backbone interact. energy: -0.002
local terms energy: -69.431423
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -160.302683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.302683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.302683 (E_RNA)
where:
Base-Base interactions energy: -95.416
where: short stacking energy: -43.709
Base-Backbone interact. energy: -1.126
local terms energy: -63.761538
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -139.176341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.176341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.176341 (E_RNA)
where:
Base-Base interactions energy: -86.959
where: short stacking energy: -36.399
Base-Backbone interact. energy: -0.434
local terms energy: -51.782742
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -118.644273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.644273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.644273 (E_RNA)
where:
Base-Base interactions energy: -58.493
where: short stacking energy: -44.046
Base-Backbone interact. energy: -2.124
local terms energy: -58.027003
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -82.132501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.132501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.132501 (E_RNA)
where:
Base-Base interactions energy: -33.221
where: short stacking energy: -24.117
Base-Backbone interact. energy: -0.054
local terms energy: -48.857474
where:
bonds (distance) C4'-P energy: -8.179
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -88.544243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.544243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.544243 (E_RNA)
where:
Base-Base interactions energy: -33.439
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.003
local terms energy: -55.102278
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -76.040118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.040118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.040118 (E_RNA)
where:
Base-Base interactions energy: -28.136
where: short stacking energy: -27.399
Base-Backbone interact. energy: -0.188
local terms energy: -47.716025
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -223.396815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.396815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.396815 (E_RNA)
where:
Base-Base interactions energy: -141.882
where: short stacking energy: -71.359
Base-Backbone interact. energy: -0.331
local terms energy: -81.184416
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -22.193
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: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -210.855753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.855753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.855753 (E_RNA)
where:
Base-Base interactions energy: -139.405
where: short stacking energy: -52.256
Base-Backbone interact. energy: -0.060
local terms energy: -71.390737
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -219.419515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.419515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.419515 (E_RNA)
where:
Base-Base interactions energy: -145.820
where: short stacking energy: -70.347
Base-Backbone interact. energy: -0.018
local terms energy: -73.580775
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -201.864463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.864463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.864463 (E_RNA)
where:
Base-Base interactions energy: -134.516
where: short stacking energy: -57.851
Base-Backbone interact. energy: -0.002
local terms energy: -67.346454
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -170.269606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.269606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.269606 (E_RNA)
where:
Base-Base interactions energy: -100.399
where: short stacking energy: -39.448
Base-Backbone interact. energy: -0.117
local terms energy: -69.753153
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -10.936
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: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -168.974904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.974904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.974904 (E_RNA)
where:
Base-Base interactions energy: -102.891
where: short stacking energy: -37.451
Base-Backbone interact. energy: -0.186
local terms energy: -65.897782
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -81.070934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.070934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.070934 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.198
local terms energy: -45.785506
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -82.970954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.970954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.970954 (E_RNA)
where:
Base-Base interactions energy: -25.965
where: short stacking energy: -25.965
Base-Backbone interact. energy: -0.172
local terms energy: -56.834194
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -84.278573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.278573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.278573 (E_RNA)
where:
Base-Base interactions energy: -33.754
where: short stacking energy: -24.592
Base-Backbone interact. energy: -0.183
local terms energy: -50.342013
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -72.901980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.901980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.901980 (E_RNA)
where:
Base-Base interactions energy: -24.666
where: short stacking energy: -23.622
Base-Backbone interact. energy: -0.612
local terms energy: -47.624053
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -6.884
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -227.213514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.213514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.213514 (E_RNA)
where:
Base-Base interactions energy: -141.672
where: short stacking energy: -72.107
Base-Backbone interact. energy: -0.001
local terms energy: -85.540265
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -21.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -223.887964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.887964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.887964 (E_RNA)
where:
Base-Base interactions energy: -151.703
where: short stacking energy: -75.251
Base-Backbone interact. energy: -0.025
local terms energy: -72.159213
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -218.238569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.238569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.238569 (E_RNA)
where:
Base-Base interactions energy: -137.634
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.898
local terms energy: -79.707027
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -21.495
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: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -194.247669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.247669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.247669 (E_RNA)
where:
Base-Base interactions energy: -125.300
where: short stacking energy: -58.278
Base-Backbone interact. energy: 1.890
local terms energy: -70.837391
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.221
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: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -166.529946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.529946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.529946 (E_RNA)
where:
Base-Base interactions energy: -101.210
where: short stacking energy: -40.508
Base-Backbone interact. energy: -0.025
local terms energy: -65.294876
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -9.033
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: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -166.031789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.031789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.031789 (E_RNA)
where:
Base-Base interactions energy: -107.728
where: short stacking energy: -44.789
Base-Backbone interact. energy: -1.026
local terms energy: -57.277375
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -7.263
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: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -84.500587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.500587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.500587 (E_RNA)
where:
Base-Base interactions energy: -38.185
where: short stacking energy: -38.185
Base-Backbone interact. energy: -0.223
local terms energy: -46.092981
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -92.555491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.555491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.555491 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -35.463
Base-Backbone interact. energy: -0.401
local terms energy: -56.691220
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -79.509358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.509358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.509358 (E_RNA)
where:
Base-Base interactions energy: -30.373
where: short stacking energy: -30.373
Base-Backbone interact. energy: -0.087
local terms energy: -49.048812
where:
bonds (distance) C4'-P energy: -6.871
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -94.898427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.898427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.898427 (E_RNA)
where:
Base-Base interactions energy: -37.459
where: short stacking energy: -18.878
Base-Backbone interact. energy: -0.172
local terms energy: -57.267722
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -225.745129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.745129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.745129 (E_RNA)
where:
Base-Base interactions energy: -150.644
where: short stacking energy: -74.302
Base-Backbone interact. energy: -0.000
local terms energy: -75.101116
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -226.013767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.013767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.013767 (E_RNA)
where:
Base-Base interactions energy: -146.990
where: short stacking energy: -71.982
Base-Backbone interact. energy: -0.001
local terms energy: -79.022495
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -213.151581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.151581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.151581 (E_RNA)
where:
Base-Base interactions energy: -142.159
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.701
local terms energy: -70.291869
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -169.979346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.979346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.979346 (E_RNA)
where:
Base-Base interactions energy: -118.012
where: short stacking energy: -42.027
Base-Backbone interact. energy: -0.267
local terms energy: -51.699978
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -180.666423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.666423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.666423 (E_RNA)
where:
Base-Base interactions energy: -117.741
where: short stacking energy: -44.508
Base-Backbone interact. energy: -0.151
local terms energy: -62.773968
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -105.038685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.038685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.038685 (E_RNA)
where:
Base-Base interactions energy: -49.513
where: short stacking energy: -26.676
Base-Backbone interact. energy: -0.201
local terms energy: -55.324715
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -3.243
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: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -92.200652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200652 (E_RNA)
where:
Base-Base interactions energy: -49.766
where: short stacking energy: -44.789
Base-Backbone interact. energy: -0.112
local terms energy: -42.322638
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -82.181945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.181945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.181945 (E_RNA)
where:
Base-Base interactions energy: -42.283
where: short stacking energy: -31.840
Base-Backbone interact. energy: 0.001
local terms energy: -39.899388
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -85.175235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.175235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.175235 (E_RNA)
where:
Base-Base interactions energy: -34.599
where: short stacking energy: -32.299
Base-Backbone interact. energy: -0.666
local terms energy: -49.910904
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -9.246
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -83.337157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.337157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.337157 (E_RNA)
where:
Base-Base interactions energy: -30.853
where: short stacking energy: -30.233
Base-Backbone interact. energy: 0.492
local terms energy: -52.976590
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -222.920048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.920048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.920048 (E_RNA)
where:
Base-Base interactions energy: -148.705
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.015
local terms energy: -74.199149
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -222.358906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.358906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.358906 (E_RNA)
where:
Base-Base interactions energy: -149.404
where: short stacking energy: -72.851
Base-Backbone interact. energy: -0.140
local terms energy: -72.815466
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -211.869217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.869217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.869217 (E_RNA)
where:
Base-Base interactions energy: -137.372
where: short stacking energy: -56.632
Base-Backbone interact. energy: -0.125
local terms energy: -74.372165
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -10.423
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: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -164.332696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.332696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.332696 (E_RNA)
where:
Base-Base interactions energy: -104.259
where: short stacking energy: -56.471
Base-Backbone interact. energy: -0.198
local terms energy: -59.875267
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -168.899690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.899690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.899690 (E_RNA)
where:
Base-Base interactions energy: -112.454
where: short stacking energy: -37.043
Base-Backbone interact. energy: -0.279
local terms energy: -56.166608
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -12.741
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: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -118.075402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.075402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.075402 (E_RNA)
where:
Base-Base interactions energy: -56.884
where: short stacking energy: -51.610
Base-Backbone interact. energy: -0.074
local terms energy: -61.117662
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -2.311
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -82.045323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.045323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.045323 (E_RNA)
where:
Base-Base interactions energy: -36.307
where: short stacking energy: -32.958
Base-Backbone interact. energy: -0.144
local terms energy: -45.594916
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: 0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -82.365099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.365099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.365099 (E_RNA)
where:
Base-Base interactions energy: -30.775
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.187
local terms energy: -51.402427
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -10.440
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: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -87.089560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.089560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.089560 (E_RNA)
where:
Base-Base interactions energy: -33.578
where: short stacking energy: -26.289
Base-Backbone interact. energy: -0.069
local terms energy: -53.441727
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -73.949428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.949428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.949428 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -20.789
Base-Backbone interact. energy: -0.124
local terms energy: -36.854352
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -5.348
flat angles P-C4'-P energy: -8.343
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: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -224.186829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.186829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.186829 (E_RNA)
where:
Base-Base interactions energy: -162.055
where: short stacking energy: -62.335
Base-Backbone interact. energy: 0.082
local terms energy: -62.212929
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -218.446210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.446210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.446210 (E_RNA)
where:
Base-Base interactions energy: -145.501
where: short stacking energy: -70.546
Base-Backbone interact. energy: -0.026
local terms energy: -72.919498
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -208.545431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.545431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.545431 (E_RNA)
where:
Base-Base interactions energy: -133.612
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.104
local terms energy: -74.829480
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -212.959345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.959345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.959345 (E_RNA)
where:
Base-Base interactions energy: -147.706
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.220
local terms energy: -65.033167
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -186.665646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.665646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.665646 (E_RNA)
where:
Base-Base interactions energy: -123.147
where: short stacking energy: -51.614
Base-Backbone interact. energy: -0.567
local terms energy: -62.951520
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -3.902
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: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -89.836326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.836326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.836326 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -28.862
Base-Backbone interact. energy: -0.298
local terms energy: -60.676034
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -96.369873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369873 (E_RNA)
where:
Base-Base interactions energy: -50.700
where: short stacking energy: -29.896
Base-Backbone interact. energy: -0.047
local terms energy: -45.622885
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -9.247
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -83.201676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.201676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.201676 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -15.383
Base-Backbone interact. energy: -0.302
local terms energy: -48.068353
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: 2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -75.302123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.302123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.302123 (E_RNA)
where:
Base-Base interactions energy: -27.698
where: short stacking energy: -19.856
Base-Backbone interact. energy: -0.150
local terms energy: -47.453907
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -1.574
tors. eta vs tors. theta energy: 0.347
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: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -81.555702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555702 (E_RNA)
where:
Base-Base interactions energy: -27.543
where: short stacking energy: -23.201
Base-Backbone interact. energy: -0.327
local terms energy: -53.684866
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: 0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -233.143832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.143832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.143832 (E_RNA)
where:
Base-Base interactions energy: -154.882
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.220
local terms energy: -78.041926
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -12.833
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: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -209.895936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.895936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.895936 (E_RNA)
where:
Base-Base interactions energy: -134.428
where: short stacking energy: -49.922
Base-Backbone interact. energy: -0.887
local terms energy: -74.581453
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -16.455
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: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -216.759553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.759553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.759553 (E_RNA)
where:
Base-Base interactions energy: -142.207
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.002
local terms energy: -74.550462
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -200.435840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.435840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.435840 (E_RNA)
where:
Base-Base interactions energy: -127.212
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.110
local terms energy: -73.113559
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -17.724
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: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -208.374753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.374753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.374753 (E_RNA)
where:
Base-Base interactions energy: -137.511
where: short stacking energy: -69.368
Base-Backbone interact. energy: -0.039
local terms energy: -70.824570
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -92.404369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.404369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.404369 (E_RNA)
where:
Base-Base interactions energy: -38.778
where: short stacking energy: -38.778
Base-Backbone interact. energy: -0.054
local terms energy: -53.571605
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -93.894565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.894565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.894565 (E_RNA)
where:
Base-Base interactions energy: -36.617
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.099
local terms energy: -57.178223
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -82.825452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.825452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.825452 (E_RNA)
where:
Base-Base interactions energy: -27.630
where: short stacking energy: -26.085
Base-Backbone interact. energy: -0.061
local terms energy: -55.135030
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -9.306
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: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -76.838886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.838886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.838886 (E_RNA)
where:
Base-Base interactions energy: -39.993
where: short stacking energy: -17.147
Base-Backbone interact. energy: -0.093
local terms energy: -36.752743
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: 3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -83.563318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.563318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.563318 (E_RNA)
where:
Base-Base interactions energy: -36.593
where: short stacking energy: -26.700
Base-Backbone interact. energy: -0.066
local terms energy: -46.903932
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: 0.666
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -223.672515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.672515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.672515 (E_RNA)
where:
Base-Base interactions energy: -143.186
where: short stacking energy: -69.521
Base-Backbone interact. energy: -0.001
local terms energy: -80.484973
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -219.886120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.886120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.886120 (E_RNA)
where:
Base-Base interactions energy: -141.508
where: short stacking energy: -65.996
Base-Backbone interact. energy: -0.232
local terms energy: -78.145955
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -212.641927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.641927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.641927 (E_RNA)
where:
Base-Base interactions energy: -152.179
where: short stacking energy: -52.835
Base-Backbone interact. energy: -1.794
local terms energy: -58.669232
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -6.234
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: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -212.744827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.744827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.744827 (E_RNA)
where:
Base-Base interactions energy: -137.647
where: short stacking energy: -62.556
Base-Backbone interact. energy: -0.019
local terms energy: -75.078639
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -195.601386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.601386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.601386 (E_RNA)
where:
Base-Base interactions energy: -133.385
where: short stacking energy: -62.865
Base-Backbone interact. energy: -0.083
local terms energy: -62.133518
where:
bonds (distance) C4'-P energy: -7.048
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -92.931508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.931508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.931508 (E_RNA)
where:
Base-Base interactions energy: -43.313
where: short stacking energy: -42.394
Base-Backbone interact. energy: -0.207
local terms energy: -49.411209
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -87.899927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.899927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.899927 (E_RNA)
where:
Base-Base interactions energy: -32.533
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.131
local terms energy: -55.235506
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -79.213831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.213831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.213831 (E_RNA)
where:
Base-Base interactions energy: -37.084
where: short stacking energy: -25.724
Base-Backbone interact. energy: -0.759
local terms energy: -41.370006
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -3.426
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -76.635586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.635586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.635586 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.662
local terms energy: -40.038377
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -7.612
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -75.055878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.055878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.055878 (E_RNA)
where:
Base-Base interactions energy: -29.786
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.105
local terms energy: -45.164921
where:
bonds (distance) C4'-P energy: -7.868
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -3.687
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: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -230.036433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.036433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.036433 (E_RNA)
where:
Base-Base interactions energy: -152.207
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.011
local terms energy: -77.819027
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -208.372841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.372841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.372841 (E_RNA)
where:
Base-Base interactions energy: -131.759
where: short stacking energy: -53.693
Base-Backbone interact. energy: -0.084
local terms energy: -76.529700
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -221.285091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.285091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.285091 (E_RNA)
where:
Base-Base interactions energy: -142.456
where: short stacking energy: -70.859
Base-Backbone interact. energy: -0.064
local terms energy: -78.765738
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -202.652879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.652879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.652879 (E_RNA)
where:
Base-Base interactions energy: -133.302
where: short stacking energy: -47.425
Base-Backbone interact. energy: -0.237
local terms energy: -69.113774
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -205.839059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.839059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.839059 (E_RNA)
where:
Base-Base interactions energy: -138.167
where: short stacking energy: -59.616
Base-Backbone interact. energy: -0.599
local terms energy: -67.072497
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -8.381
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -18.950
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: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -95.628612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.628612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.628612 (E_RNA)
where:
Base-Base interactions energy: -48.371
where: short stacking energy: -37.901
Base-Backbone interact. energy: -0.041
local terms energy: -47.216382
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -99.744803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.744803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.744803 (E_RNA)
where:
Base-Base interactions energy: -45.711
where: short stacking energy: -26.953
Base-Backbone interact. energy: -0.156
local terms energy: -53.877853
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -84.294882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.294882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.294882 (E_RNA)
where:
Base-Base interactions energy: -38.034
where: short stacking energy: -22.850
Base-Backbone interact. energy: -0.505
local terms energy: -45.755561
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: 0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -116.978375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.978375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.978375 (E_RNA)
where:
Base-Base interactions energy: -66.409
where: short stacking energy: -32.992
Base-Backbone interact. energy: -0.168
local terms energy: -50.401964
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -80.272820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.272820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.272820 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -25.356
Base-Backbone interact. energy: -0.210
local terms energy: -45.471525
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: 1.021
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: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -227.587321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.587321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.587321 (E_RNA)
where:
Base-Base interactions energy: -152.422
where: short stacking energy: -71.564
Base-Backbone interact. energy: -0.079
local terms energy: -75.086352
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -216.074763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.074763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.074763 (E_RNA)
where:
Base-Base interactions energy: -147.477
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.043
local terms energy: -68.553996
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -17.851
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: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -201.332330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.332330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.332330 (E_RNA)
where:
Base-Base interactions energy: -132.417
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.152
local terms energy: -68.763766
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -212.445229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.445229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.445229 (E_RNA)
where:
Base-Base interactions energy: -142.223
where: short stacking energy: -64.862
Base-Backbone interact. energy: -0.123
local terms energy: -70.098936
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -210.648558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.648558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.648558 (E_RNA)
where:
Base-Base interactions energy: -136.742
where: short stacking energy: -64.077
Base-Backbone interact. energy: -1.085
local terms energy: -72.821273
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -102.556695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.556695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.556695 (E_RNA)
where:
Base-Base interactions energy: -44.646
where: short stacking energy: -41.040
Base-Backbone interact. energy: -0.288
local terms energy: -57.623254
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -105.320728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.320728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.320728 (E_RNA)
where:
Base-Base interactions energy: -52.109
where: short stacking energy: -43.118
Base-Backbone interact. energy: -0.159
local terms energy: -53.052543
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.302
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: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -128.520385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.520385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.520385 (E_RNA)
where:
Base-Base interactions energy: -68.451
where: short stacking energy: -33.996
Base-Backbone interact. energy: -0.828
local terms energy: -59.241759
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -98.106136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.106136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.106136 (E_RNA)
where:
Base-Base interactions energy: -54.729
where: short stacking energy: -25.094
Base-Backbone interact. energy: -0.088
local terms energy: -43.289674
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -79.743792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.743792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.743792 (E_RNA)
where:
Base-Base interactions energy: -34.245
where: short stacking energy: -20.405
Base-Backbone interact. energy: -0.251
local terms energy: -45.248182
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: 0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -221.424282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.424282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.424282 (E_RNA)
where:
Base-Base interactions energy: -140.421
where: short stacking energy: -60.468
Base-Backbone interact. energy: -0.619
local terms energy: -80.384395
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -217.133671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.133671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.133671 (E_RNA)
where:
Base-Base interactions energy: -145.618
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.009
local terms energy: -71.506576
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -206.191798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.191798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.191798 (E_RNA)
where:
Base-Base interactions energy: -128.159
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.621
local terms energy: -77.411829
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -22.115
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: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -209.805590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.805590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.805590 (E_RNA)
where:
Base-Base interactions energy: -143.191
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.361
local terms energy: -66.254327
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -13.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -211.053612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.053612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.053612 (E_RNA)
where:
Base-Base interactions energy: -132.172
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.576
local terms energy: -78.305034
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -112.263321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.263321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.263321 (E_RNA)
where:
Base-Base interactions energy: -64.863
where: short stacking energy: -35.013
Base-Backbone interact. energy: -0.488
local terms energy: -46.912091
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -7.267
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: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -131.436296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.436296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.436296 (E_RNA)
where:
Base-Base interactions energy: -78.264
where: short stacking energy: -38.935
Base-Backbone interact. energy: -0.117
local terms energy: -53.054611
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -83.870629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.870629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.870629 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -29.773
Base-Backbone interact. energy: 0.569
local terms energy: -47.149329
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -7.959
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: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -80.955107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.955107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.955107 (E_RNA)
where:
Base-Base interactions energy: -31.666
where: short stacking energy: -31.666
Base-Backbone interact. energy: -0.042
local terms energy: -49.246446
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -79.078592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.078592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.078592 (E_RNA)
where:
Base-Base interactions energy: -34.690
where: short stacking energy: -19.125
Base-Backbone interact. energy: -0.256
local terms energy: -44.131969
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -7.079
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: 2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -218.620883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.620883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.620883 (E_RNA)
where:
Base-Base interactions energy: -147.326
where: short stacking energy: -68.886
Base-Backbone interact. energy: -0.003
local terms energy: -71.292166
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -217.259691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.259691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.259691 (E_RNA)
where:
Base-Base interactions energy: -137.883
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.004
local terms energy: -79.372411
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -211.106346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.106346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.106346 (E_RNA)
where:
Base-Base interactions energy: -132.250
where: short stacking energy: -60.304
Base-Backbone interact. energy: -1.216
local terms energy: -77.641192
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -209.355619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.355619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.355619 (E_RNA)
where:
Base-Base interactions energy: -142.844
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.170
local terms energy: -66.341351
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -218.379442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.379442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.379442 (E_RNA)
where:
Base-Base interactions energy: -149.043
where: short stacking energy: -73.336
Base-Backbone interact. energy: -0.239
local terms energy: -69.097770
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -7.552
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -23.055
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: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -109.117268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.117268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.117268 (E_RNA)
where:
Base-Base interactions energy: -50.833
where: short stacking energy: -47.297
Base-Backbone interact. energy: -0.028
local terms energy: -58.256759
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -6.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -88.647588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.647588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.647588 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.002
local terms energy: -56.370015
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -2.363
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: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -98.457556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.457556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.457556 (E_RNA)
where:
Base-Base interactions energy: -44.318
where: short stacking energy: -43.864
Base-Backbone interact. energy: -0.549
local terms energy: -53.590397
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -85.432018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.432018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.432018 (E_RNA)
where:
Base-Base interactions energy: -32.493
where: short stacking energy: -32.493
Base-Backbone interact. energy: -0.296
local terms energy: -52.642162
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -75.588907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.588907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.588907 (E_RNA)
where:
Base-Base interactions energy: -26.017
where: short stacking energy: -25.302
Base-Backbone interact. energy: -0.021
local terms energy: -49.551432
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -227.341510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.341510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.341510 (E_RNA)
where:
Base-Base interactions energy: -159.059
where: short stacking energy: -64.350
Base-Backbone interact. energy: -0.415
local terms energy: -67.867481
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -219.789221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.789221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.789221 (E_RNA)
where:
Base-Base interactions energy: -146.097
where: short stacking energy: -66.933
Base-Backbone interact. energy: -0.100
local terms energy: -73.593180
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -221.337905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.337905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.337905 (E_RNA)
where:
Base-Base interactions energy: -139.520
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.456
local terms energy: -81.361748
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -11.480
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: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -212.522915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.522915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.522915 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.131
local terms energy: -70.751247
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -205.946186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.946186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.946186 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -55.899
Base-Backbone interact. energy: -0.746
local terms energy: -62.103929
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -132.468142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.468142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.468142 (E_RNA)
where:
Base-Base interactions energy: -74.254
where: short stacking energy: -30.461
Base-Backbone interact. energy: -0.106
local terms energy: -58.108538
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -10.273
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: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -97.363963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.363963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.363963 (E_RNA)
where:
Base-Base interactions energy: -44.476
where: short stacking energy: -32.710
Base-Backbone interact. energy: -0.013
local terms energy: -52.875139
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -78.854747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.854747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.854747 (E_RNA)
where:
Base-Base interactions energy: -27.493
where: short stacking energy: -19.454
Base-Backbone interact. energy: -0.203
local terms energy: -51.159588
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -80.769225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.769225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.769225 (E_RNA)
where:
Base-Base interactions energy: -35.611
where: short stacking energy: -35.611
Base-Backbone interact. energy: -0.157
local terms energy: -45.001517
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -8.731
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -69.664442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.664442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.664442 (E_RNA)
where:
Base-Base interactions energy: -19.625
where: short stacking energy: -12.073
Base-Backbone interact. energy: 1.317
local terms energy: -51.356600
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -226.420257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.420257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.420257 (E_RNA)
where:
Base-Base interactions energy: -156.281
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.003
local terms energy: -70.136151
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -4.876
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: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -223.554875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.554875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.554875 (E_RNA)
where:
Base-Base interactions energy: -146.581
where: short stacking energy: -72.585
Base-Backbone interact. energy: -1.362
local terms energy: -75.611514
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -20.471
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: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -213.737789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.737789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.737789 (E_RNA)
where:
Base-Base interactions energy: -148.149
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.004
local terms energy: -65.585063
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -7.994
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: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -207.373295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.373295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.373295 (E_RNA)
where:
Base-Base interactions energy: -138.734
where: short stacking energy: -56.689
Base-Backbone interact. energy: -0.064
local terms energy: -68.575406
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -9.222
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: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -208.797091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.797091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.797091 (E_RNA)
where:
Base-Base interactions energy: -142.692
where: short stacking energy: -64.050
Base-Backbone interact. energy: -0.426
local terms energy: -65.679392
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -137.520099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.520099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.520099 (E_RNA)
where:
Base-Base interactions energy: -78.050
where: short stacking energy: -50.164
Base-Backbone interact. energy: -0.012
local terms energy: -59.458414
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -95.705618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.705618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.705618 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -31.948
Base-Backbone interact. energy: -1.199
local terms energy: -60.217221
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -89.698791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698791 (E_RNA)
where:
Base-Base interactions energy: -30.793
where: short stacking energy: -27.290
Base-Backbone interact. energy: -0.118
local terms energy: -58.787494
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -90.227566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.227566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.227566 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -37.226
Base-Backbone interact. energy: -0.199
local terms energy: -51.071541
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -77.162681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.162681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.162681 (E_RNA)
where:
Base-Base interactions energy: -27.878
where: short stacking energy: -27.878
Base-Backbone interact. energy: -1.089
local terms energy: -48.195913
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -224.804158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.804158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.804158 (E_RNA)
where:
Base-Base interactions energy: -142.684
where: short stacking energy: -69.133
Base-Backbone interact. energy: -0.882
local terms energy: -81.237734
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -22.427
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: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -212.391909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.391909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.391909 (E_RNA)
where:
Base-Base interactions energy: -145.691
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.508
local terms energy: -66.193149
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -215.679024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.679024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.679024 (E_RNA)
where:
Base-Base interactions energy: -134.271
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.039
local terms energy: -81.368897
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -21.088
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: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -204.608486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.608486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.608486 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -57.515
Base-Backbone interact. energy: 0.040
local terms energy: -65.724127
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -188.905426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.905426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.905426 (E_RNA)
where:
Base-Base interactions energy: -124.192
where: short stacking energy: -52.958
Base-Backbone interact. energy: -0.316
local terms energy: -64.397342
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -141.141808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.141808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.141808 (E_RNA)
where:
Base-Base interactions energy: -82.156
where: short stacking energy: -38.703
Base-Backbone interact. energy: -0.090
local terms energy: -58.895543
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -90.906668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.906668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.906668 (E_RNA)
where:
Base-Base interactions energy: -35.710
where: short stacking energy: -32.641
Base-Backbone interact. energy: -0.088
local terms energy: -55.108467
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -93.263746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.263746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.263746 (E_RNA)
where:
Base-Base interactions energy: -36.734
where: short stacking energy: -34.774
Base-Backbone interact. energy: -0.123
local terms energy: -56.406501
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -5.556
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: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -85.622766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.622766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.622766 (E_RNA)
where:
Base-Base interactions energy: -34.880
where: short stacking energy: -30.124
Base-Backbone interact. energy: 0.080
local terms energy: -50.822934
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -77.951450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.951450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.951450 (E_RNA)
where:
Base-Base interactions energy: -30.618
where: short stacking energy: -28.346
Base-Backbone interact. energy: -0.230
local terms energy: -47.102810
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -221.213233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.213233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.213233 (E_RNA)
where:
Base-Base interactions energy: -145.623
where: short stacking energy: -68.758
Base-Backbone interact. energy: -0.717
local terms energy: -74.873589
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -210.496043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.496043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.496043 (E_RNA)
where:
Base-Base interactions energy: -133.913
where: short stacking energy: -54.826
Base-Backbone interact. energy: -0.424
local terms energy: -76.159484
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -215.820426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.820426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.820426 (E_RNA)
where:
Base-Base interactions energy: -146.617
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.500
local terms energy: -68.702510
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -14.722
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: 327
Temperature: 1.050000
Total energy: -195.741550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.741550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.741550 (E_RNA)
where:
Base-Base interactions energy: -133.034
where: short stacking energy: -60.231
Base-Backbone interact. energy: -0.034
local terms energy: -62.673414
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -14.375
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: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -207.166109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.166109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.166109 (E_RNA)
where:
Base-Base interactions energy: -132.064
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.083
local terms energy: -75.018355
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -11.080
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: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -151.020631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.020631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.020631 (E_RNA)
where:
Base-Base interactions energy: -88.333
where: short stacking energy: -35.558
Base-Backbone interact. energy: -0.196
local terms energy: -62.491899
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -83.471311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.471311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.471311 (E_RNA)
where:
Base-Base interactions energy: -35.224
where: short stacking energy: -34.913
Base-Backbone interact. energy: -0.512
local terms energy: -47.735116
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -95.649105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.649105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.649105 (E_RNA)
where:
Base-Base interactions energy: -43.929
where: short stacking energy: -28.501
Base-Backbone interact. energy: -0.139
local terms energy: -51.581185
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -96.457456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.457456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.457456 (E_RNA)
where:
Base-Base interactions energy: -50.498
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.132
local terms energy: -45.828092
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -5.365
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -76.581055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.581055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.581055 (E_RNA)
where:
Base-Base interactions energy: -30.376
where: short stacking energy: -27.644
Base-Backbone interact. energy: 0.728
local terms energy: -46.933438
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -228.398316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.398316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.398316 (E_RNA)
where:
Base-Base interactions energy: -144.459
where: short stacking energy: -66.550
Base-Backbone interact. energy: -0.506
local terms energy: -83.432839
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -20.890
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: 328
Temperature: 0.950000
Total energy: -198.520642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.520642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.520642 (E_RNA)
where:
Base-Base interactions energy: -124.737
where: short stacking energy: -57.057
Base-Backbone interact. energy: -0.925
local terms energy: -72.858595
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -8.485
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: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -207.433963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.433963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.433963 (E_RNA)
where:
Base-Base interactions energy: -138.971
where: short stacking energy: -57.587
Base-Backbone interact. energy: -0.977
local terms energy: -67.485853
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -213.624366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.624366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.624366 (E_RNA)
where:
Base-Base interactions energy: -134.002
where: short stacking energy: -69.267
Base-Backbone interact. energy: -0.099
local terms energy: -79.523283
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -22.699
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: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -205.344721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.344721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.344721 (E_RNA)
where:
Base-Base interactions energy: -132.090
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.786
local terms energy: -72.468458
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -160.406594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.406594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.406594 (E_RNA)
where:
Base-Base interactions energy: -99.041
where: short stacking energy: -43.818
Base-Backbone interact. energy: 0.840
local terms energy: -62.205069
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -88.986091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.986091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.986091 (E_RNA)
where:
Base-Base interactions energy: -36.500
where: short stacking energy: -36.500
Base-Backbone interact. energy: -0.168
local terms energy: -52.317548
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -9.472
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: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -96.493830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.493830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.493830 (E_RNA)
where:
Base-Base interactions energy: -42.747
where: short stacking energy: -21.334
Base-Backbone interact. energy: -0.892
local terms energy: -52.854994
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -5.376
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: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -78.971403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.971403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.971403 (E_RNA)
where:
Base-Base interactions energy: -30.004
where: short stacking energy: -25.925
Base-Backbone interact. energy: -0.038
local terms energy: -48.929269
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -70.117695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.117695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.117695 (E_RNA)
where:
Base-Base interactions energy: -29.338
where: short stacking energy: -28.041
Base-Backbone interact. energy: 0.242
local terms energy: -41.021728
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -9.856
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -7.069
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: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -226.220474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.220474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.220474 (E_RNA)
where:
Base-Base interactions energy: -148.276
where: short stacking energy: -70.383
Base-Backbone interact. energy: -0.347
local terms energy: -77.596771
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -23.387
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: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -213.790281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.790281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.790281 (E_RNA)
where:
Base-Base interactions energy: -148.675
where: short stacking energy: -47.142
Base-Backbone interact. energy: -1.291
local terms energy: -63.824037
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -11.812
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: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -194.007456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.007456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.007456 (E_RNA)
where:
Base-Base interactions energy: -130.085
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.078
local terms energy: -63.844873
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -8.706
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -9.768
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: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -220.361161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.361161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.361161 (E_RNA)
where:
Base-Base interactions energy: -147.100
where: short stacking energy: -73.348
Base-Backbone interact. energy: -0.021
local terms energy: -73.240254
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -195.315995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.315995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.315995 (E_RNA)
where:
Base-Base interactions energy: -120.469
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.000
local terms energy: -74.846644
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -19.829
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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -155.541776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.541776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.541776 (E_RNA)
where:
Base-Base interactions energy: -86.513
where: short stacking energy: -43.021
Base-Backbone interact. energy: -1.464
local terms energy: -67.565690
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -97.388395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.388395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.388395 (E_RNA)
where:
Base-Base interactions energy: -50.451
where: short stacking energy: -25.390
Base-Backbone interact. energy: -0.078
local terms energy: -46.858755
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: 3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -103.736999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.736999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.736999 (E_RNA)
where:
Base-Base interactions energy: -48.836
where: short stacking energy: -33.770
Base-Backbone interact. energy: -1.645
local terms energy: -53.255949
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -4.040
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: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -67.538844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.538844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.538844 (E_RNA)
where:
Base-Base interactions energy: -16.474
where: short stacking energy: -15.518
Base-Backbone interact. energy: -0.316
local terms energy: -50.748497
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.553
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: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -82.153958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.153958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.153958 (E_RNA)
where:
Base-Base interactions energy: -34.342
where: short stacking energy: -34.342
Base-Backbone interact. energy: -0.057
local terms energy: -47.754829
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -4.549
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -216.956851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.956851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.956851 (E_RNA)
where:
Base-Base interactions energy: -148.149
where: short stacking energy: -48.385
Base-Backbone interact. energy: 0.453
local terms energy: -69.260758
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -224.342437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.342437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.342437 (E_RNA)
where:
Base-Base interactions energy: -143.421
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.942
local terms energy: -79.978935
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -23.753
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: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -216.156075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.156075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.156075 (E_RNA)
where:
Base-Base interactions energy: -144.101
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.246
local terms energy: -71.809378
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -207.819012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.819012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.819012 (E_RNA)
where:
Base-Base interactions energy: -139.934
where: short stacking energy: -49.300
Base-Backbone interact. energy: -0.549
local terms energy: -67.335898
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -200.523884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.523884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.523884 (E_RNA)
where:
Base-Base interactions energy: -134.422
where: short stacking energy: -57.739
Base-Backbone interact. energy: -0.538
local terms energy: -65.563142
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -5.838
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: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -155.409919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.409919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.409919 (E_RNA)
where:
Base-Base interactions energy: -89.815
where: short stacking energy: -40.869
Base-Backbone interact. energy: -0.126
local terms energy: -65.468926
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -10.367
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: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -96.674313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.674313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.674313 (E_RNA)
where:
Base-Base interactions energy: -50.217
where: short stacking energy: -38.822
Base-Backbone interact. energy: -0.063
local terms energy: -46.394131
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -84.573328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.573328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.573328 (E_RNA)
where:
Base-Base interactions energy: -34.859
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.263
local terms energy: -49.450612
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -82.963539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.963539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.963539 (E_RNA)
where:
Base-Base interactions energy: -42.407
where: short stacking energy: -42.407
Base-Backbone interact. energy: -0.008
local terms energy: -40.548293
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -8.410
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -81.807445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.807445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.807445 (E_RNA)
where:
Base-Base interactions energy: -32.098
where: short stacking energy: -28.798
Base-Backbone interact. energy: -0.216
local terms energy: -49.493369
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -2.404
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: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -224.268116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.268116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.268116 (E_RNA)
where:
Base-Base interactions energy: -158.188
where: short stacking energy: -53.073
Base-Backbone interact. energy: 0.527
local terms energy: -66.607631
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -222.778868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.778868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.778868 (E_RNA)
where:
Base-Base interactions energy: -142.915
where: short stacking energy: -72.852
Base-Backbone interact. energy: -0.072
local terms energy: -79.792159
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -11.964
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: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -221.023938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.023938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.023938 (E_RNA)
where:
Base-Base interactions energy: -144.112
where: short stacking energy: -67.267
Base-Backbone interact. energy: -0.815
local terms energy: -76.096427
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -204.322367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.322367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.322367 (E_RNA)
where:
Base-Base interactions energy: -133.150
where: short stacking energy: -64.282
Base-Backbone interact. energy: -0.285
local terms energy: -70.887352
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -200.703784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.703784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.703784 (E_RNA)
where:
Base-Base interactions energy: -141.583
where: short stacking energy: -48.947
Base-Backbone interact. energy: -0.382
local terms energy: -58.739520
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -7.186
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: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -157.434027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.434027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.434027 (E_RNA)
where:
Base-Base interactions energy: -97.803
where: short stacking energy: -49.689
Base-Backbone interact. energy: -0.536
local terms energy: -59.095034
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -96.919666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.919666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.919666 (E_RNA)
where:
Base-Base interactions energy: -46.744
where: short stacking energy: -19.105
Base-Backbone interact. energy: -0.215
local terms energy: -49.960862
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -96.872351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.872351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.872351 (E_RNA)
where:
Base-Base interactions energy: -40.899
where: short stacking energy: -40.899
Base-Backbone interact. energy: -0.111
local terms energy: -55.862556
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -7.468
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: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -95.243778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.243778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.243778 (E_RNA)
where:
Base-Base interactions energy: -45.021
where: short stacking energy: -42.254
Base-Backbone interact. energy: -0.390
local terms energy: -49.832155
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -8.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -84.210740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.210740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.210740 (E_RNA)
where:
Base-Base interactions energy: -29.415
where: short stacking energy: -29.415
Base-Backbone interact. energy: -0.087
local terms energy: -54.707985
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -223.662814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.662814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.662814 (E_RNA)
where:
Base-Base interactions energy: -151.151
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.053
local terms energy: -72.458636
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -15.347
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: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -220.795128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.795128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.795128 (E_RNA)
where:
Base-Base interactions energy: -142.661
where: short stacking energy: -66.049
Base-Backbone interact. energy: -0.721
local terms energy: -77.412624
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -215.960929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.960929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.960929 (E_RNA)
where:
Base-Base interactions energy: -139.953
where: short stacking energy: -62.375
Base-Backbone interact. energy: -1.008
local terms energy: -74.999464
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -189.138384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.138384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.138384 (E_RNA)
where:
Base-Base interactions energy: -126.218
where: short stacking energy: -56.826
Base-Backbone interact. energy: -1.372
local terms energy: -61.548681
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -7.358
flat angles P-C4'-P energy: -11.118
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: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -190.399539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.399539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.399539 (E_RNA)
where:
Base-Base interactions energy: -129.248
where: short stacking energy: -51.366
Base-Backbone interact. energy: -0.399
local terms energy: -60.752785
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -159.086407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.086407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.086407 (E_RNA)
where:
Base-Base interactions energy: -93.414
where: short stacking energy: -48.499
Base-Backbone interact. energy: -0.185
local terms energy: -65.487558
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -98.473538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.473538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.473538 (E_RNA)
where:
Base-Base interactions energy: -44.682
where: short stacking energy: -43.110
Base-Backbone interact. energy: -0.172
local terms energy: -53.619814
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -77.666782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.666782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.666782 (E_RNA)
where:
Base-Base interactions energy: -24.758
where: short stacking energy: -24.758
Base-Backbone interact. energy: -0.547
local terms energy: -52.361722
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -1.030
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: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -93.616190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.616190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.616190 (E_RNA)
where:
Base-Base interactions energy: -36.272
where: short stacking energy: -25.918
Base-Backbone interact. energy: 0.545
local terms energy: -57.889286
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.346
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: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -83.569905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.569905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.569905 (E_RNA)
where:
Base-Base interactions energy: -28.559
where: short stacking energy: -28.559
Base-Backbone interact. energy: -0.141
local terms energy: -54.870236
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -222.560663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.560663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.560663 (E_RNA)
where:
Base-Base interactions energy: -153.039
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.053
local terms energy: -69.468613
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -225.083633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.083633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.083633 (E_RNA)
where:
Base-Base interactions energy: -146.534
where: short stacking energy: -73.743
Base-Backbone interact. energy: -0.050
local terms energy: -78.499353
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -210.960446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.960446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.960446 (E_RNA)
where:
Base-Base interactions energy: -141.358
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.236
local terms energy: -69.366555
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -202.447837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.447837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.447837 (E_RNA)
where:
Base-Base interactions energy: -145.766
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.725
local terms energy: -55.957099
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -8.167
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: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -185.156040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.156040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.156040 (E_RNA)
where:
Base-Base interactions energy: -119.508
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.076
local terms energy: -65.572203
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -12.382
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: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -98.341139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.341139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.341139 (E_RNA)
where:
Base-Base interactions energy: -45.125
where: short stacking energy: -40.747
Base-Backbone interact. energy: -0.013
local terms energy: -53.203553
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -4.440
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: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -121.773777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.773777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.773777 (E_RNA)
where:
Base-Base interactions energy: -71.747
where: short stacking energy: -43.250
Base-Backbone interact. energy: 0.366
local terms energy: -50.392979
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -5.598
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: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -80.992661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.992661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.992661 (E_RNA)
where:
Base-Base interactions energy: -33.291
where: short stacking energy: -29.617
Base-Backbone interact. energy: -0.283
local terms energy: -47.418705
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -88.464162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.464162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.464162 (E_RNA)
where:
Base-Base interactions energy: -35.610
where: short stacking energy: -35.610
Base-Backbone interact. energy: 0.447
local terms energy: -53.301081
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -84.784714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.784714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.784714 (E_RNA)
where:
Base-Base interactions energy: -32.124
where: short stacking energy: -18.053
Base-Backbone interact. energy: -0.008
local terms energy: -52.652683
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -218.462691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.462691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.462691 (E_RNA)
where:
Base-Base interactions energy: -148.723
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.119
local terms energy: -69.620898
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -11.973
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: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -218.640050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.640050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.640050 (E_RNA)
where:
Base-Base interactions energy: -141.719
where: short stacking energy: -66.386
Base-Backbone interact. energy: -0.213
local terms energy: -76.707487
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -205.587280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.587280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.587280 (E_RNA)
where:
Base-Base interactions energy: -139.694
where: short stacking energy: -49.997
Base-Backbone interact. energy: 0.029
local terms energy: -65.921991
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -212.418488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.418488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.418488 (E_RNA)
where:
Base-Base interactions energy: -144.224
where: short stacking energy: -59.753
Base-Backbone interact. energy: -0.233
local terms energy: -67.962089
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -189.420013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.420013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.420013 (E_RNA)
where:
Base-Base interactions energy: -120.016
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.043
local terms energy: -69.361771
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -106.201428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.201428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.201428 (E_RNA)
where:
Base-Base interactions energy: -47.613
where: short stacking energy: -32.489
Base-Backbone interact. energy: 0.575
local terms energy: -59.163296
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -107.506517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.506517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.506517 (E_RNA)
where:
Base-Base interactions energy: -62.062
where: short stacking energy: -38.788
Base-Backbone interact. energy: -0.019
local terms energy: -45.424726
where:
bonds (distance) C4'-P energy: -8.661
bonds (distance) P-C4' energy: -5.820
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -123.039109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.039109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.039109 (E_RNA)
where:
Base-Base interactions energy: -68.094
where: short stacking energy: -35.287
Base-Backbone interact. energy: -0.907
local terms energy: -54.037585
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -9.166
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: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -87.533750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.533750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.533750 (E_RNA)
where:
Base-Base interactions energy: -42.421
where: short stacking energy: -33.807
Base-Backbone interact. energy: -0.354
local terms energy: -44.759015
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -69.882682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.882682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.882682 (E_RNA)
where:
Base-Base interactions energy: -17.785
where: short stacking energy: -17.785
Base-Backbone interact. energy: -0.122
local terms energy: -51.976086
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: 1.749
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: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -212.948068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.948068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.948068 (E_RNA)
where:
Base-Base interactions energy: -142.338
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.099
local terms energy: -70.511237
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -11.322
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: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -223.523424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.523424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.523424 (E_RNA)
where:
Base-Base interactions energy: -142.181
where: short stacking energy: -70.714
Base-Backbone interact. energy: -0.067
local terms energy: -81.275808
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -21.213
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: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -209.729524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.729524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.729524 (E_RNA)
where:
Base-Base interactions energy: -140.881
where: short stacking energy: -50.415
Base-Backbone interact. energy: -0.369
local terms energy: -68.479625
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -204.334038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.334038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.334038 (E_RNA)
where:
Base-Base interactions energy: -136.022
where: short stacking energy: -53.601
Base-Backbone interact. energy: -0.057
local terms energy: -68.255176
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -179.633301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.633301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.633301 (E_RNA)
where:
Base-Base interactions energy: -117.822
where: short stacking energy: -57.781
Base-Backbone interact. energy: -0.582
local terms energy: -61.229436
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -100.817952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.817952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.817952 (E_RNA)
where:
Base-Base interactions energy: -44.552
where: short stacking energy: -44.552
Base-Backbone interact. energy: -0.164
local terms energy: -56.102072
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -96.845413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.845413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.845413 (E_RNA)
where:
Base-Base interactions energy: -43.532
where: short stacking energy: -41.119
Base-Backbone interact. energy: 0.252
local terms energy: -53.565492
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.415
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: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -85.149467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.149467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.149467 (E_RNA)
where:
Base-Base interactions energy: -39.537
where: short stacking energy: -27.518
Base-Backbone interact. energy: 0.500
local terms energy: -46.112682
where:
bonds (distance) C4'-P energy: -6.826
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -83.676987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.676987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.676987 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -34.530
Base-Backbone interact. energy: 0.473
local terms energy: -47.970204
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -5.892
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: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -75.225120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.225120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.225120 (E_RNA)
where:
Base-Base interactions energy: -27.248
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.158
local terms energy: -47.819710
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -230.165780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.165780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.165780 (E_RNA)
where:
Base-Base interactions energy: -154.197
where: short stacking energy: -66.961
Base-Backbone interact. energy: -0.009
local terms energy: -75.960075
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -5.697
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: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -213.442043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.442043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.442043 (E_RNA)
where:
Base-Base interactions energy: -142.654
where: short stacking energy: -53.369
Base-Backbone interact. energy: -2.226
local terms energy: -68.561403
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -214.197014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.197014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.197014 (E_RNA)
where:
Base-Base interactions energy: -145.192
where: short stacking energy: -50.066
Base-Backbone interact. energy: 0.262
local terms energy: -69.267489
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -216.593220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.593220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.593220 (E_RNA)
where:
Base-Base interactions energy: -145.594
where: short stacking energy: -56.012
Base-Backbone interact. energy: -0.714
local terms energy: -70.284860
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.786
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: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -176.570702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.570702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.570702 (E_RNA)
where:
Base-Base interactions energy: -116.605
where: short stacking energy: -42.808
Base-Backbone interact. energy: -0.502
local terms energy: -59.463789
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -105.740513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.740513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.740513 (E_RNA)
where:
Base-Base interactions energy: -49.876
where: short stacking energy: -30.435
Base-Backbone interact. energy: -0.168
local terms energy: -55.696502
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -100.464988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.464988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.464988 (E_RNA)
where:
Base-Base interactions energy: -54.490
where: short stacking energy: -21.001
Base-Backbone interact. energy: -0.246
local terms energy: -45.728870
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -9.609
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -2.219
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: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -79.562138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.562138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.562138 (E_RNA)
where:
Base-Base interactions energy: -35.889
where: short stacking energy: -34.114
Base-Backbone interact. energy: -0.144
local terms energy: -43.529512
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -86.218550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.218550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.218550 (E_RNA)
where:
Base-Base interactions energy: -31.615
where: short stacking energy: -32.134
Base-Backbone interact. energy: -0.146
local terms energy: -54.457546
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -5.662
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: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -84.611172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.611172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.611172 (E_RNA)
where:
Base-Base interactions energy: -45.025
where: short stacking energy: -23.425
Base-Backbone interact. energy: -0.535
local terms energy: -39.050892
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -0.136
tors. eta vs tors. theta energy: -1.682
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: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -228.311761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.311761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.311761 (E_RNA)
where:
Base-Base interactions energy: -149.266
where: short stacking energy: -77.895
Base-Backbone interact. energy: -0.001
local terms energy: -79.045338
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -206.867311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.867311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.867311 (E_RNA)
where:
Base-Base interactions energy: -137.583
where: short stacking energy: -52.830
Base-Backbone interact. energy: -2.018
local terms energy: -67.265638
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -205.578857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.578857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578857 (E_RNA)
where:
Base-Base interactions energy: -136.279
where: short stacking energy: -55.055
Base-Backbone interact. energy: -0.296
local terms energy: -69.003942
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -204.440002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.440002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.440002 (E_RNA)
where:
Base-Base interactions energy: -134.239
where: short stacking energy: -52.376
Base-Backbone interact. energy: -1.454
local terms energy: -68.747415
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -11.999
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: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -209.761425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.761425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.761425 (E_RNA)
where:
Base-Base interactions energy: -138.668
where: short stacking energy: -69.206
Base-Backbone interact. energy: -0.012
local terms energy: -71.081309
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -100.432825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.432825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.432825 (E_RNA)
where:
Base-Base interactions energy: -55.788
where: short stacking energy: -39.469
Base-Backbone interact. energy: -0.482
local terms energy: -44.163023
where:
bonds (distance) C4'-P energy: -3.088
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -120.452931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.452931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.452931 (E_RNA)
where:
Base-Base interactions energy: -62.398
where: short stacking energy: -29.597
Base-Backbone interact. energy: -0.964
local terms energy: -57.090452
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -8.153
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: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -77.573069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.573069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.573069 (E_RNA)
where:
Base-Base interactions energy: -38.524
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.300
local terms energy: -38.748418
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -74.651622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.651622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.651622 (E_RNA)
where:
Base-Base interactions energy: -23.688
where: short stacking energy: -23.247
Base-Backbone interact. energy: -0.160
local terms energy: -50.803631
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -76.925913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.925913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.925913 (E_RNA)
where:
Base-Base interactions energy: -34.995
where: short stacking energy: -12.523
Base-Backbone interact. energy: -1.080
local terms energy: -40.851617
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -5.257
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: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -226.255580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.255580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.255580 (E_RNA)
where:
Base-Base interactions energy: -151.667
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.007
local terms energy: -74.581480
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -12.012
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: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -220.699079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.699079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.699079 (E_RNA)
where:
Base-Base interactions energy: -144.004
where: short stacking energy: -70.360
Base-Backbone interact. energy: -1.857
local terms energy: -74.838462
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -209.149588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.149588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.149588 (E_RNA)
where:
Base-Base interactions energy: -143.438
where: short stacking energy: -55.698
Base-Backbone interact. energy: 0.807
local terms energy: -66.519116
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -208.895006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.895006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.895006 (E_RNA)
where:
Base-Base interactions energy: -136.727
where: short stacking energy: -52.460
Base-Backbone interact. energy: -0.998
local terms energy: -71.170350
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -12.548
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: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -206.120530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.120530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.120530 (E_RNA)
where:
Base-Base interactions energy: -130.334
where: short stacking energy: -60.024
Base-Backbone interact. energy: -1.720
local terms energy: -74.065784
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -109.660021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.660021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.660021 (E_RNA)
where:
Base-Base interactions energy: -64.298
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.149
local terms energy: -45.213352
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -6.477
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -94.459664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.459664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.459664 (E_RNA)
where:
Base-Base interactions energy: -39.193
where: short stacking energy: -23.458
Base-Backbone interact. energy: -0.091
local terms energy: -55.175532
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -91.438237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.438237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.438237 (E_RNA)
where:
Base-Base interactions energy: -36.414
where: short stacking energy: -33.773
Base-Backbone interact. energy: -0.811
local terms energy: -54.212787
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -85.962669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.962669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.962669 (E_RNA)
where:
Base-Base interactions energy: -40.666
where: short stacking energy: -32.775
Base-Backbone interact. energy: -0.113
local terms energy: -45.183380
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -0.342
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: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -80.166621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.166621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.166621 (E_RNA)
where:
Base-Base interactions energy: -33.814
where: short stacking energy: -32.992
Base-Backbone interact. energy: -0.046
local terms energy: -46.307176
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -230.291658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.291658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.291658 (E_RNA)
where:
Base-Base interactions energy: -152.851
where: short stacking energy: -83.206
Base-Backbone interact. energy: -0.044
local terms energy: -77.396009
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -214.119372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.119372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.119372 (E_RNA)
where:
Base-Base interactions energy: -148.410
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.080
local terms energy: -65.629609
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -219.702014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.702014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.702014 (E_RNA)
where:
Base-Base interactions energy: -147.396
where: short stacking energy: -74.211
Base-Backbone interact. energy: -0.892
local terms energy: -71.414018
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -11.832
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: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -207.749672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.749672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.749672 (E_RNA)
where:
Base-Base interactions energy: -144.373
where: short stacking energy: -70.797
Base-Backbone interact. energy: -0.279
local terms energy: -63.097283
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -18.304
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: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -200.692582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.692582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.692582 (E_RNA)
where:
Base-Base interactions energy: -131.164
where: short stacking energy: -47.036
Base-Backbone interact. energy: -0.449
local terms energy: -69.079993
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -97.366367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.366367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.366367 (E_RNA)
where:
Base-Base interactions energy: -34.498
where: short stacking energy: -34.498
Base-Backbone interact. energy: -0.177
local terms energy: -62.692041
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -7.040
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: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -126.770752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.770752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.770752 (E_RNA)
where:
Base-Base interactions energy: -76.351
where: short stacking energy: -50.788
Base-Backbone interact. energy: 0.591
local terms energy: -51.010744
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -4.767
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -93.343695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.343695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.343695 (E_RNA)
where:
Base-Base interactions energy: -37.544
where: short stacking energy: -25.375
Base-Backbone interact. energy: -0.128
local terms energy: -55.672109
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -93.548405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.548405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.548405 (E_RNA)
where:
Base-Base interactions energy: -40.183
where: short stacking energy: -32.157
Base-Backbone interact. energy: -0.406
local terms energy: -52.958998
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -72.292404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.292404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.292404 (E_RNA)
where:
Base-Base interactions energy: -30.755
where: short stacking energy: -30.755
Base-Backbone interact. energy: -0.056
local terms energy: -41.481871
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -6.971
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: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -212.529809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.529809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.529809 (E_RNA)
where:
Base-Base interactions energy: -146.226
where: short stacking energy: -57.696
Base-Backbone interact. energy: -0.127
local terms energy: -66.176758
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -222.976763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.976763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.976763 (E_RNA)
where:
Base-Base interactions energy: -146.633
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.019
local terms energy: -76.324516
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -12.282
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: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -205.719740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.719740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.719740 (E_RNA)
where:
Base-Base interactions energy: -129.722
where: short stacking energy: -55.921
Base-Backbone interact. energy: -1.092
local terms energy: -74.905405
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -14.550
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: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -221.828250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.828250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.828250 (E_RNA)
where:
Base-Base interactions energy: -144.504
where: short stacking energy: -73.034
Base-Backbone interact. energy: -0.503
local terms energy: -76.821559
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -200.433970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.433970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.433970 (E_RNA)
where:
Base-Base interactions energy: -141.337
where: short stacking energy: -59.360
Base-Backbone interact. energy: -0.117
local terms energy: -58.979918
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -100.769536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.769536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.769536 (E_RNA)
where:
Base-Base interactions energy: -46.746
where: short stacking energy: -38.785
Base-Backbone interact. energy: -0.103
local terms energy: -53.920117
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -13.095
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: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -130.123286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.123286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.123286 (E_RNA)
where:
Base-Base interactions energy: -66.479
where: short stacking energy: -39.504
Base-Backbone interact. energy: -0.109
local terms energy: -63.535162
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -83.703919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.703919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.703919 (E_RNA)
where:
Base-Base interactions energy: -29.025
where: short stacking energy: -27.628
Base-Backbone interact. energy: -0.311
local terms energy: -54.368788
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -83.826158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.826158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.826158 (E_RNA)
where:
Base-Base interactions energy: -43.101
where: short stacking energy: -28.580
Base-Backbone interact. energy: -1.496
local terms energy: -39.228672
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -8.782
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: 2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -79.934208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.934208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.934208 (E_RNA)
where:
Base-Base interactions energy: -28.008
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.160
local terms energy: -51.766423
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -5.353
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: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -218.164109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.164109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.164109 (E_RNA)
where:
Base-Base interactions energy: -148.862
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.111
local terms energy: -69.191098
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -221.659498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.659498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.659498 (E_RNA)
where:
Base-Base interactions energy: -148.776
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.004
local terms energy: -72.879614
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -20.366
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: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -212.989181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.989181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.989181 (E_RNA)
where:
Base-Base interactions energy: -135.049
where: short stacking energy: -55.270
Base-Backbone interact. energy: -0.412
local terms energy: -77.528686
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.106
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: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -211.860189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.860189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.860189 (E_RNA)
where:
Base-Base interactions energy: -139.059
where: short stacking energy: -58.794
Base-Backbone interact. energy: -0.015
local terms energy: -72.786362
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -199.195197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.195197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.195197 (E_RNA)
where:
Base-Base interactions energy: -137.612
where: short stacking energy: -52.990
Base-Backbone interact. energy: -0.498
local terms energy: -61.085943
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -117.716598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.716598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.716598 (E_RNA)
where:
Base-Base interactions energy: -66.871
where: short stacking energy: -37.106
Base-Backbone interact. energy: -0.201
local terms energy: -50.644548
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -94.900169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.900169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.900169 (E_RNA)
where:
Base-Base interactions energy: -49.199
where: short stacking energy: -18.750
Base-Backbone interact. energy: -0.211
local terms energy: -45.489548
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -8.135
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: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -78.964836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.964836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.964836 (E_RNA)
where:
Base-Base interactions energy: -25.947
where: short stacking energy: -25.947
Base-Backbone interact. energy: -0.613
local terms energy: -52.404244
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -10.858
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: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -80.520299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.520299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.520299 (E_RNA)
where:
Base-Base interactions energy: -28.018
where: short stacking energy: -20.003
Base-Backbone interact. energy: 0.989
local terms energy: -53.491923
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -79.755883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.755883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.755883 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -29.986
Base-Backbone interact. energy: -0.212
local terms energy: -48.448411
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -219.852848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.852848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.852848 (E_RNA)
where:
Base-Base interactions energy: -137.490
where: short stacking energy: -62.488
Base-Backbone interact. energy: -1.696
local terms energy: -80.666669
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -207.871032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.871032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.871032 (E_RNA)
where:
Base-Base interactions energy: -139.650
where: short stacking energy: -55.963
Base-Backbone interact. energy: -0.249
local terms energy: -67.971934
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -218.237560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.237560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.237560 (E_RNA)
where:
Base-Base interactions energy: -146.834
where: short stacking energy: -69.660
Base-Backbone interact. energy: -0.641
local terms energy: -70.763406
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -208.417008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.417008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.417008 (E_RNA)
where:
Base-Base interactions energy: -137.501
where: short stacking energy: -60.162
Base-Backbone interact. energy: -0.037
local terms energy: -70.878482
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -200.443453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.443453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.443453 (E_RNA)
where:
Base-Base interactions energy: -136.599
where: short stacking energy: -48.414
Base-Backbone interact. energy: 0.458
local terms energy: -64.302553
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -97.355257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.355257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.355257 (E_RNA)
where:
Base-Base interactions energy: -40.692
where: short stacking energy: -40.554
Base-Backbone interact. energy: -0.082
local terms energy: -56.580763
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -95.154585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.154585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.154585 (E_RNA)
where:
Base-Base interactions energy: -42.366
where: short stacking energy: -31.594
Base-Backbone interact. energy: -0.280
local terms energy: -52.508878
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -89.324155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.324155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.324155 (E_RNA)
where:
Base-Base interactions energy: -40.124
where: short stacking energy: -35.131
Base-Backbone interact. energy: -0.134
local terms energy: -49.065373
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -8.169
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: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -83.809214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.809214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.809214 (E_RNA)
where:
Base-Base interactions energy: -28.889
where: short stacking energy: -28.584
Base-Backbone interact. energy: -0.077
local terms energy: -54.843205
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -87.824065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.824065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.824065 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -31.106
Base-Backbone interact. energy: -0.623
local terms energy: -44.313604
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -228.049210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.049210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.049210 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -70.080
Base-Backbone interact. energy: -1.292
local terms energy: -82.444674
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -22.465
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: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -214.164619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.164619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.164619 (E_RNA)
where:
Base-Base interactions energy: -143.532
where: short stacking energy: -60.331
Base-Backbone interact. energy: -0.219
local terms energy: -70.413438
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -218.334960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.334960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.334960 (E_RNA)
where:
Base-Base interactions energy: -143.019
where: short stacking energy: -67.972
Base-Backbone interact. energy: 0.360
local terms energy: -75.676695
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -205.478043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.478043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.478043 (E_RNA)
where:
Base-Base interactions energy: -132.994
where: short stacking energy: -66.080
Base-Backbone interact. energy: -0.678
local terms energy: -71.805916
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -18.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -199.290083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.290083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.290083 (E_RNA)
where:
Base-Base interactions energy: -132.715
where: short stacking energy: -48.953
Base-Backbone interact. energy: -0.464
local terms energy: -66.111110
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -8.314
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: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -105.902039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.902039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.902039 (E_RNA)
where:
Base-Base interactions energy: -45.318
where: short stacking energy: -42.452
Base-Backbone interact. energy: -0.324
local terms energy: -60.259685
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -84.735127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.735127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.735127 (E_RNA)
where:
Base-Base interactions energy: -35.420
where: short stacking energy: -20.558
Base-Backbone interact. energy: 0.018
local terms energy: -49.332280
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -95.597988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.597988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.597988 (E_RNA)
where:
Base-Base interactions energy: -53.196
where: short stacking energy: -34.393
Base-Backbone interact. energy: -0.621
local terms energy: -41.780325
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: 0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -91.419147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.419147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.419147 (E_RNA)
where:
Base-Base interactions energy: -50.871
where: short stacking energy: -34.847
Base-Backbone interact. energy: -0.031
local terms energy: -40.517917
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -1.455
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: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -88.242477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.242477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.242477 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -25.911
Base-Backbone interact. energy: -0.116
local terms energy: -52.576688
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: 1.418
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: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -227.543863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.543863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.543863 (E_RNA)
where:
Base-Base interactions energy: -147.229
where: short stacking energy: -68.283
Base-Backbone interact. energy: -0.398
local terms energy: -79.917157
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -210.353574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.353574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.353574 (E_RNA)
where:
Base-Base interactions energy: -141.348
where: short stacking energy: -61.262
Base-Backbone interact. energy: -0.131
local terms energy: -68.873944
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -10.898
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: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -212.393864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.393864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.393864 (E_RNA)
where:
Base-Base interactions energy: -137.103
where: short stacking energy: -67.175
Base-Backbone interact. energy: -0.004
local terms energy: -75.286340
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -213.921344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.921344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.921344 (E_RNA)
where:
Base-Base interactions energy: -139.775
where: short stacking energy: -63.986
Base-Backbone interact. energy: -0.005
local terms energy: -74.142153
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -189.146733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.146733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.146733 (E_RNA)
where:
Base-Base interactions energy: -131.931
where: short stacking energy: -36.892
Base-Backbone interact. energy: -0.219
local terms energy: -56.997229
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -8.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -114.938567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.938567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.938567 (E_RNA)
where:
Base-Base interactions energy: -52.627
where: short stacking energy: -46.086
Base-Backbone interact. energy: -0.141
local terms energy: -62.170869
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -7.708
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: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -101.458650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.458650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.458650 (E_RNA)
where:
Base-Base interactions energy: -38.799
where: short stacking energy: -37.635
Base-Backbone interact. energy: -0.145
local terms energy: -62.514074
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -83.454748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.454748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.454748 (E_RNA)
where:
Base-Base interactions energy: -33.167
where: short stacking energy: -23.635
Base-Backbone interact. energy: 0.359
local terms energy: -50.645846
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -0.885
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: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -84.343448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.343448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.343448 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -29.257
Base-Backbone interact. energy: 0.081
local terms energy: -48.809241
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -8.455
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: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -89.934223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.934223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.934223 (E_RNA)
where:
Base-Base interactions energy: -37.253
where: short stacking energy: -26.483
Base-Backbone interact. energy: -1.180
local terms energy: -51.501587
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -225.227397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.227397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.227397 (E_RNA)
where:
Base-Base interactions energy: -147.807
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.012
local terms energy: -77.407602
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -217.859685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.859685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.859685 (E_RNA)
where:
Base-Base interactions energy: -145.141
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.116
local terms energy: -72.602860
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -13.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -218.442823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.442823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.442823 (E_RNA)
where:
Base-Base interactions energy: -139.091
where: short stacking energy: -72.841
Base-Backbone interact. energy: -0.494
local terms energy: -78.857779
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -192.838294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.838294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.838294 (E_RNA)
where:
Base-Base interactions energy: -129.949
where: short stacking energy: -50.358
Base-Backbone interact. energy: 0.208
local terms energy: -63.096453
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -202.676940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.676940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.676940 (E_RNA)
where:
Base-Base interactions energy: -140.154
where: short stacking energy: -54.195
Base-Backbone interact. energy: 0.091
local terms energy: -62.613915
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -96.572419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.572419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.572419 (E_RNA)
where:
Base-Base interactions energy: -44.507
where: short stacking energy: -33.103
Base-Backbone interact. energy: -0.351
local terms energy: -51.714255
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -101.299019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.299019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.299019 (E_RNA)
where:
Base-Base interactions energy: -44.622
where: short stacking energy: -44.601
Base-Backbone interact. energy: -0.346
local terms energy: -56.331058
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -88.015168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.015168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.015168 (E_RNA)
where:
Base-Base interactions energy: -27.293
where: short stacking energy: -23.208
Base-Backbone interact. energy: -0.051
local terms energy: -60.672038
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -91.292590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.292590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.292590 (E_RNA)
where:
Base-Base interactions energy: -42.949
where: short stacking energy: -24.986
Base-Backbone interact. energy: -0.118
local terms energy: -48.225054
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -81.307642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.307642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.307642 (E_RNA)
where:
Base-Base interactions energy: -33.790
where: short stacking energy: -29.896
Base-Backbone interact. energy: -0.052
local terms energy: -47.465754
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -221.020105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.020105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.020105 (E_RNA)
where:
Base-Base interactions energy: -147.630
where: short stacking energy: -57.858
Base-Backbone interact. energy: -0.170
local terms energy: -73.220639
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -13.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -219.029807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.029807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.029807 (E_RNA)
where:
Base-Base interactions energy: -145.095
where: short stacking energy: -68.790
Base-Backbone interact. energy: -0.886
local terms energy: -73.049287
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -208.823731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.823731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.823731 (E_RNA)
where:
Base-Base interactions energy: -141.550
where: short stacking energy: -59.146
Base-Backbone interact. energy: -0.389
local terms energy: -66.883902
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -211.286623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.286623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.286623 (E_RNA)
where:
Base-Base interactions energy: -139.004
where: short stacking energy: -72.487
Base-Backbone interact. energy: -0.855
local terms energy: -71.426877
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -20.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -205.962641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.962641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.962641 (E_RNA)
where:
Base-Base interactions energy: -130.266
where: short stacking energy: -57.830
Base-Backbone interact. energy: -0.071
local terms energy: -75.625020
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -20.718
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: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -101.065442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.065442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.065442 (E_RNA)
where:
Base-Base interactions energy: -46.396
where: short stacking energy: -46.396
Base-Backbone interact. energy: -0.004
local terms energy: -54.665990
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -10.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -92.439392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.439392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.439392 (E_RNA)
where:
Base-Base interactions energy: -36.774
where: short stacking energy: -20.196
Base-Backbone interact. energy: -0.138
local terms energy: -55.526732
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -82.124596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.124596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.124596 (E_RNA)
where:
Base-Base interactions energy: -23.902
where: short stacking energy: -12.526
Base-Backbone interact. energy: -0.236
local terms energy: -57.986312
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -91.831729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.831729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.831729 (E_RNA)
where:
Base-Base interactions energy: -35.351
where: short stacking energy: -30.935
Base-Backbone interact. energy: 0.202
local terms energy: -56.682933
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -73.996464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.996464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.996464 (E_RNA)
where:
Base-Base interactions energy: -20.779
where: short stacking energy: -19.157
Base-Backbone interact. energy: 0.133
local terms energy: -53.350836
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -223.119053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.119053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.119053 (E_RNA)
where:
Base-Base interactions energy: -152.944
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.426
local terms energy: -69.749120
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -212.100516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.100516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.100516 (E_RNA)
where:
Base-Base interactions energy: -153.576
where: short stacking energy: -53.439
Base-Backbone interact. energy: -0.211
local terms energy: -58.313818
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -214.232961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.232961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.232961 (E_RNA)
where:
Base-Base interactions energy: -138.932
where: short stacking energy: -67.621
Base-Backbone interact. energy: 1.401
local terms energy: -76.702488
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -215.410189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.410189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.410189 (E_RNA)
where:
Base-Base interactions energy: -140.532
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.001
local terms energy: -74.876796
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -198.624190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.624190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.624190 (E_RNA)
where:
Base-Base interactions energy: -130.700
where: short stacking energy: -58.157
Base-Backbone interact. energy: -0.082
local terms energy: -67.841798
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -100.075305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.075305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.075305 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -31.345
Base-Backbone interact. energy: -0.025
local terms energy: -61.366173
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -91.315835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.315835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.315835 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.368
local terms energy: -58.697091
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -92.104544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104544 (E_RNA)
where:
Base-Base interactions energy: -37.307
where: short stacking energy: -32.466
Base-Backbone interact. energy: -0.895
local terms energy: -53.902786
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -79.235048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235048 (E_RNA)
where:
Base-Base interactions energy: -26.295
where: short stacking energy: -23.372
Base-Backbone interact. energy: -0.132
local terms energy: -52.807210
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: 0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -68.767482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.767482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.767482 (E_RNA)
where:
Base-Base interactions energy: -24.871
where: short stacking energy: -21.639
Base-Backbone interact. energy: 0.756
local terms energy: -44.652469
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -6.525
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: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -218.808385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.808385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.808385 (E_RNA)
where:
Base-Base interactions energy: -151.039
where: short stacking energy: -60.533
Base-Backbone interact. energy: -0.516
local terms energy: -67.253013
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -210.028401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.028401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.028401 (E_RNA)
where:
Base-Base interactions energy: -143.076
where: short stacking energy: -50.116
Base-Backbone interact. energy: -0.753
local terms energy: -66.199419
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -11.018
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: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -224.056258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.056258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.056258 (E_RNA)
where:
Base-Base interactions energy: -149.495
where: short stacking energy: -68.178
Base-Backbone interact. energy: -0.243
local terms energy: -74.317589
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -9.737
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: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -200.168609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.168609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.168609 (E_RNA)
where:
Base-Base interactions energy: -128.840
where: short stacking energy: -57.966
Base-Backbone interact. energy: -0.021
local terms energy: -71.308122
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -14.564
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: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -200.799752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.799752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.799752 (E_RNA)
where:
Base-Base interactions energy: -139.568
where: short stacking energy: -51.615
Base-Backbone interact. energy: -0.036
local terms energy: -61.195813
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -96.369963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369963 (E_RNA)
where:
Base-Base interactions energy: -42.657
where: short stacking energy: -40.792
Base-Backbone interact. energy: -0.052
local terms energy: -53.660719
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -127.182120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.182120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.182120 (E_RNA)
where:
Base-Base interactions energy: -67.746
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.028
local terms energy: -59.407722
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -88.766548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.766548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.766548 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.110
local terms energy: -50.029286
where:
bonds (distance) C4'-P energy: -4.152
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -76.597049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.597049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.597049 (E_RNA)
where:
Base-Base interactions energy: -34.406
where: short stacking energy: -26.943
Base-Backbone interact. energy: -0.136
local terms energy: -42.055607
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: 1.347
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: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -80.852868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.852868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.852868 (E_RNA)
where:
Base-Base interactions energy: -23.616
where: short stacking energy: -22.078
Base-Backbone interact. energy: -0.096
local terms energy: -57.140593
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -225.304236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.304236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.304236 (E_RNA)
where:
Base-Base interactions energy: -151.255
where: short stacking energy: -65.515
Base-Backbone interact. energy: -0.278
local terms energy: -73.771561
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -215.298905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.298905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.298905 (E_RNA)
where:
Base-Base interactions energy: -142.262
where: short stacking energy: -64.194
Base-Backbone interact. energy: -0.365
local terms energy: -72.672296
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -206.585161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.585161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.585161 (E_RNA)
where:
Base-Base interactions energy: -142.371
where: short stacking energy: -51.701
Base-Backbone interact. energy: -1.053
local terms energy: -63.160594
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -189.457778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.457778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.457778 (E_RNA)
where:
Base-Base interactions energy: -124.433
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.909
local terms energy: -64.116127
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -11.522
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: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -197.902156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.902156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.902156 (E_RNA)
where:
Base-Base interactions energy: -120.660
where: short stacking energy: -47.760
Base-Backbone interact. energy: -1.353
local terms energy: -75.889067
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -112.266252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.266252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.266252 (E_RNA)
where:
Base-Base interactions energy: -60.477
where: short stacking energy: -32.341
Base-Backbone interact. energy: -0.214
local terms energy: -51.575008
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -91.063659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.063659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.063659 (E_RNA)
where:
Base-Base interactions energy: -42.289
where: short stacking energy: -30.679
Base-Backbone interact. energy: -0.365
local terms energy: -48.409710
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: 0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -84.894145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.894145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.894145 (E_RNA)
where:
Base-Base interactions energy: -35.989
where: short stacking energy: -35.989
Base-Backbone interact. energy: -0.201
local terms energy: -48.703548
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -1.156
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -88.045760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.045760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.045760 (E_RNA)
where:
Base-Base interactions energy: -26.613
where: short stacking energy: -24.104
Base-Backbone interact. energy: -0.156
local terms energy: -61.276576
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -69.092490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.092490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.092490 (E_RNA)
where:
Base-Base interactions energy: -26.164
where: short stacking energy: -21.888
Base-Backbone interact. energy: -0.634
local terms energy: -42.294984
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: 1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -221.785169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.785169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.785169 (E_RNA)
where:
Base-Base interactions energy: -152.454
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.036
local terms energy: -69.294411
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -10.475
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: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -219.922786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.922786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.922786 (E_RNA)
where:
Base-Base interactions energy: -141.494
where: short stacking energy: -74.671
Base-Backbone interact. energy: -0.067
local terms energy: -78.362267
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -198.923522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.923522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.923522 (E_RNA)
where:
Base-Base interactions energy: -125.754
where: short stacking energy: -55.390
Base-Backbone interact. energy: 0.270
local terms energy: -73.438622
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -187.478474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.478474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.478474 (E_RNA)
where:
Base-Base interactions energy: -131.089
where: short stacking energy: -50.846
Base-Backbone interact. energy: -0.866
local terms energy: -55.523856
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -203.403584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.403584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.403584 (E_RNA)
where:
Base-Base interactions energy: -131.696
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.041
local terms energy: -71.666370
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -11.428
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: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -115.524053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.524053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.524053 (E_RNA)
where:
Base-Base interactions energy: -49.347
where: short stacking energy: -43.894
Base-Backbone interact. energy: -0.105
local terms energy: -66.072333
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -93.974479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.974479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.974479 (E_RNA)
where:
Base-Base interactions energy: -43.500
where: short stacking energy: -33.043
Base-Backbone interact. energy: -0.302
local terms energy: -50.173111
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -96.982051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.982051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.982051 (E_RNA)
where:
Base-Base interactions energy: -35.443
where: short stacking energy: -35.443
Base-Backbone interact. energy: -0.355
local terms energy: -61.183564
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -87.691987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.691987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.691987 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -33.886
Base-Backbone interact. energy: 2.254
local terms energy: -50.713348
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -6.468
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: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -78.667779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.667779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.667779 (E_RNA)
where:
Base-Base interactions energy: -28.579
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.094
local terms energy: -49.994427
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -220.719448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.719448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.719448 (E_RNA)
where:
Base-Base interactions energy: -142.498
where: short stacking energy: -57.186
Base-Backbone interact. energy: -0.503
local terms energy: -77.718267
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -224.493349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.493349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.493349 (E_RNA)
where:
Base-Base interactions energy: -147.611
where: short stacking energy: -73.170
Base-Backbone interact. energy: 0.181
local terms energy: -77.062702
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -21.720
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: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -192.207165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.207165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.207165 (E_RNA)
where:
Base-Base interactions energy: -128.139
where: short stacking energy: -61.988
Base-Backbone interact. energy: -0.769
local terms energy: -63.299211
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -174.447383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.447383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.447383 (E_RNA)
where:
Base-Base interactions energy: -109.033
where: short stacking energy: -61.167
Base-Backbone interact. energy: -0.016
local terms energy: -65.398014
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -192.851800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.851800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.851800 (E_RNA)
where:
Base-Base interactions energy: -132.160
where: short stacking energy: -44.685
Base-Backbone interact. energy: -0.917
local terms energy: -59.775074
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -109.118962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.118962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.118962 (E_RNA)
where:
Base-Base interactions energy: -50.253
where: short stacking energy: -32.295
Base-Backbone interact. energy: 1.359
local terms energy: -60.224462
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -5.878
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: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -88.401535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.401535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.401535 (E_RNA)
where:
Base-Base interactions energy: -37.926
where: short stacking energy: -36.556
Base-Backbone interact. energy: -0.094
local terms energy: -50.381213
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -86.722258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.722258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.722258 (E_RNA)
where:
Base-Base interactions energy: -33.478
where: short stacking energy: -32.509
Base-Backbone interact. energy: -1.199
local terms energy: -52.044838
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -81.588084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.588084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.588084 (E_RNA)
where:
Base-Base interactions energy: -27.510
where: short stacking energy: -27.510
Base-Backbone interact. energy: -0.121
local terms energy: -53.956783
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -68.492051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.492051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.492051 (E_RNA)
where:
Base-Base interactions energy: -22.554
where: short stacking energy: -18.070
Base-Backbone interact. energy: -0.087
local terms energy: -45.851092
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -228.745427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.745427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.745427 (E_RNA)
where:
Base-Base interactions energy: -145.504
where: short stacking energy: -70.319
Base-Backbone interact. energy: -1.937
local terms energy: -81.303985
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -218.587667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.587667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.587667 (E_RNA)
where:
Base-Base interactions energy: -148.523
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.136
local terms energy: -69.929433
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -207.841815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.841815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.841815 (E_RNA)
where:
Base-Base interactions energy: -137.735
where: short stacking energy: -55.382
Base-Backbone interact. energy: -1.712
local terms energy: -68.394434
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -185.528402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.528402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.528402 (E_RNA)
where:
Base-Base interactions energy: -113.268
where: short stacking energy: -54.330
Base-Backbone interact. energy: -1.412
local terms energy: -70.848951
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -172.600059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.600059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.600059 (E_RNA)
where:
Base-Base interactions energy: -110.344
where: short stacking energy: -42.200
Base-Backbone interact. energy: 0.464
local terms energy: -62.719842
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -9.171
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: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -134.023576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.023576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.023576 (E_RNA)
where:
Base-Base interactions energy: -76.173
where: short stacking energy: -42.130
Base-Backbone interact. energy: -0.277
local terms energy: -57.573748
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -11.030
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: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -105.406074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.406074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.406074 (E_RNA)
where:
Base-Base interactions energy: -57.700
where: short stacking energy: -39.040
Base-Backbone interact. energy: -0.237
local terms energy: -47.469149
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -7.391
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -85.179464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.179464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.179464 (E_RNA)
where:
Base-Base interactions energy: -25.192
where: short stacking energy: -24.917
Base-Backbone interact. energy: -1.739
local terms energy: -58.248373
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -86.910990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.910990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.910990 (E_RNA)
where:
Base-Base interactions energy: -33.945
where: short stacking energy: -27.032
Base-Backbone interact. energy: -1.019
local terms energy: -51.946347
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: 0.252
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: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -81.718035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.718035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.718035 (E_RNA)
where:
Base-Base interactions energy: -37.262
where: short stacking energy: -37.262
Base-Backbone interact. energy: -0.104
local terms energy: -44.351298
where:
bonds (distance) C4'-P energy: -5.160
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -223.679195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.679195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.679195 (E_RNA)
where:
Base-Base interactions energy: -147.230
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.656
local terms energy: -75.792415
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -11.838
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: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -219.746977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.746977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.746977 (E_RNA)
where:
Base-Base interactions energy: -150.560
where: short stacking energy: -58.479
Base-Backbone interact. energy: -0.107
local terms energy: -69.080210
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -17.249
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: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -214.380931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.380931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.380931 (E_RNA)
where:
Base-Base interactions energy: -142.296
where: short stacking energy: -65.491
Base-Backbone interact. energy: -0.033
local terms energy: -72.052578
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -182.297165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.297165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.297165 (E_RNA)
where:
Base-Base interactions energy: -121.187
where: short stacking energy: -46.905
Base-Backbone interact. energy: -0.140
local terms energy: -60.970781
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -195.740773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.740773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.740773 (E_RNA)
where:
Base-Base interactions energy: -130.700
where: short stacking energy: -50.713
Base-Backbone interact. energy: -0.936
local terms energy: -64.105013
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -98.126317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.126317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.126317 (E_RNA)
where:
Base-Base interactions energy: -43.966
where: short stacking energy: -37.796
Base-Backbone interact. energy: -0.250
local terms energy: -53.910148
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -144.484794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.484794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.484794 (E_RNA)
where:
Base-Base interactions energy: -90.481
where: short stacking energy: -50.121
Base-Backbone interact. energy: -0.276
local terms energy: -53.727683
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -9.041
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: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -102.279103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.279103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.279103 (E_RNA)
where:
Base-Base interactions energy: -42.845
where: short stacking energy: -42.299
Base-Backbone interact. energy: -0.109
local terms energy: -59.324686
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -83.184506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.184506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.184506 (E_RNA)
where:
Base-Base interactions energy: -34.434
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.284
local terms energy: -48.466277
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: 0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -80.644263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.644263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.644263 (E_RNA)
where:
Base-Base interactions energy: -33.522
where: short stacking energy: -27.323
Base-Backbone interact. energy: 0.238
local terms energy: -47.360388
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -222.060858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.060858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.060858 (E_RNA)
where:
Base-Base interactions energy: -143.168
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.002
local terms energy: -78.891708
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -18.016
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: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -210.759240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.759240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.759240 (E_RNA)
where:
Base-Base interactions energy: -146.033
where: short stacking energy: -60.076
Base-Backbone interact. energy: -0.176
local terms energy: -64.550569
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -198.034652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.034652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.034652 (E_RNA)
where:
Base-Base interactions energy: -139.102
where: short stacking energy: -51.712
Base-Backbone interact. energy: -0.160
local terms energy: -58.772996
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -11.147
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: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -203.373680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.373680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.373680 (E_RNA)
where:
Base-Base interactions energy: -128.784
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.097
local terms energy: -74.492598
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -17.880
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: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -196.976057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.976057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.976057 (E_RNA)
where:
Base-Base interactions energy: -139.696
where: short stacking energy: -47.436
Base-Backbone interact. energy: -0.123
local terms energy: -57.156863
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -115.783547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.783547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.783547 (E_RNA)
where:
Base-Base interactions energy: -58.023
where: short stacking energy: -37.339
Base-Backbone interact. energy: -0.070
local terms energy: -57.691176
where:
bonds (distance) C4'-P energy: -7.270
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -12.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -106.697748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.697748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.697748 (E_RNA)
where:
Base-Base interactions energy: -52.271
where: short stacking energy: -37.685
Base-Backbone interact. energy: 0.103
local terms energy: -54.529464
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -127.893551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.893551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.893551 (E_RNA)
where:
Base-Base interactions energy: -77.095
where: short stacking energy: -36.995
Base-Backbone interact. energy: -0.775
local terms energy: -50.023189
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -90.802057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.802057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.802057 (E_RNA)
where:
Base-Base interactions energy: -34.739
where: short stacking energy: -31.469
Base-Backbone interact. energy: -1.018
local terms energy: -55.045003
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -83.489572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.489572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.489572 (E_RNA)
where:
Base-Base interactions energy: -30.973
where: short stacking energy: -29.883
Base-Backbone interact. energy: -0.007
local terms energy: -52.508862
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -3.698
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: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -220.368413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.368413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.368413 (E_RNA)
where:
Base-Base interactions energy: -139.774
where: short stacking energy: -68.822
Base-Backbone interact. energy: -1.031
local terms energy: -79.563459
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -211.955097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.955097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.955097 (E_RNA)
where:
Base-Base interactions energy: -136.783
where: short stacking energy: -61.975
Base-Backbone interact. energy: -0.174
local terms energy: -74.998008
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -200.953295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.953295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.953295 (E_RNA)
where:
Base-Base interactions energy: -134.265
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.422
local terms energy: -66.266371
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -217.657838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.657838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.657838 (E_RNA)
where:
Base-Base interactions energy: -148.516
where: short stacking energy: -69.887
Base-Backbone interact. energy: 1.308
local terms energy: -70.449173
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -196.630278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.630278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.630278 (E_RNA)
where:
Base-Base interactions energy: -142.779
where: short stacking energy: -45.592
Base-Backbone interact. energy: -0.512
local terms energy: -53.339403
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -7.460
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -113.152645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.152645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.152645 (E_RNA)
where:
Base-Base interactions energy: -57.676
where: short stacking energy: -42.759
Base-Backbone interact. energy: -0.660
local terms energy: -54.816376
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -8.907
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: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -86.624204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.624204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.624204 (E_RNA)
where:
Base-Base interactions energy: -33.782
where: short stacking energy: -28.604
Base-Backbone interact. energy: 0.416
local terms energy: -53.258184
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -139.832500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.832500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.832500 (E_RNA)
where:
Base-Base interactions energy: -78.231
where: short stacking energy: -50.271
Base-Backbone interact. energy: -0.043
local terms energy: -61.557785
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -8.969
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -84.177371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.177371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.177371 (E_RNA)
where:
Base-Base interactions energy: -34.943
where: short stacking energy: -34.741
Base-Backbone interact. energy: -0.076
local terms energy: -49.158184
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -3.970
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: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -86.327175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327175 (E_RNA)
where:
Base-Base interactions energy: -38.874
where: short stacking energy: -38.874
Base-Backbone interact. energy: -0.040
local terms energy: -47.413806
where:
bonds (distance) C4'-P energy: -6.926
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -228.535783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.535783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.535783 (E_RNA)
where:
Base-Base interactions energy: -151.917
where: short stacking energy: -76.640
Base-Backbone interact. energy: -0.467
local terms energy: -76.151210
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -210.831495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.831495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.831495 (E_RNA)
where:
Base-Base interactions energy: -132.809
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.000
local terms energy: -78.021850
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -222.667987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.667987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.667987 (E_RNA)
where:
Base-Base interactions energy: -155.785
where: short stacking energy: -68.281
Base-Backbone interact. energy: 2.026
local terms energy: -68.908783
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -205.665516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.665516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.665516 (E_RNA)
where:
Base-Base interactions energy: -133.884
where: short stacking energy: -65.330
Base-Backbone interact. energy: -1.368
local terms energy: -70.413769
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -169.450427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.450427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.450427 (E_RNA)
where:
Base-Base interactions energy: -109.804
where: short stacking energy: -43.634
Base-Backbone interact. energy: -0.721
local terms energy: -58.926141
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -6.372
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -13.997
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: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -119.159898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.159898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.159898 (E_RNA)
where:
Base-Base interactions energy: -61.326
where: short stacking energy: -40.167
Base-Backbone interact. energy: -0.204
local terms energy: -57.629756
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -141.658914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.658914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.658914 (E_RNA)
where:
Base-Base interactions energy: -83.735
where: short stacking energy: -40.943
Base-Backbone interact. energy: -0.333
local terms energy: -57.591609
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -91.348622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.348622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.348622 (E_RNA)
where:
Base-Base interactions energy: -34.210
where: short stacking energy: -33.771
Base-Backbone interact. energy: -0.132
local terms energy: -57.007082
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -88.632664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.632664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.632664 (E_RNA)
where:
Base-Base interactions energy: -38.001
where: short stacking energy: -37.249
Base-Backbone interact. energy: -0.413
local terms energy: -50.219073
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -81.945538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.945538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.945538 (E_RNA)
where:
Base-Base interactions energy: -38.943
where: short stacking energy: -19.112
Base-Backbone interact. energy: -0.092
local terms energy: -42.909987
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -220.926844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.926844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.926844 (E_RNA)
where:
Base-Base interactions energy: -151.639
where: short stacking energy: -60.370
Base-Backbone interact. energy: -0.192
local terms energy: -69.096616
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -215.085319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.085319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.085319 (E_RNA)
where:
Base-Base interactions energy: -142.494
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.305
local terms energy: -72.286240
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -21.133
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: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -202.358412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.358412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.358412 (E_RNA)
where:
Base-Base interactions energy: -126.212
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.306
local terms energy: -75.839611
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -210.761649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.761649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.761649 (E_RNA)
where:
Base-Base interactions energy: -140.200
where: short stacking energy: -65.554
Base-Backbone interact. energy: -0.507
local terms energy: -70.054296
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -188.056392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.056392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.056392 (E_RNA)
where:
Base-Base interactions energy: -115.338
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.406
local terms energy: -72.312567
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -11.925
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: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -157.835422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.835422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.835422 (E_RNA)
where:
Base-Base interactions energy: -99.118
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.111
local terms energy: -58.606661
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -89.049353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.049353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.049353 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -36.772
Base-Backbone interact. energy: -0.175
local terms energy: -48.172060
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -81.850232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.850232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.850232 (E_RNA)
where:
Base-Base interactions energy: -30.769
where: short stacking energy: -30.769
Base-Backbone interact. energy: -0.031
local terms energy: -51.049777
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -80.465539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.465539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.465539 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -32.552
Base-Backbone interact. energy: -0.792
local terms energy: -46.955691
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -10.689
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: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -99.998760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.998760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.998760 (E_RNA)
where:
Base-Base interactions energy: -48.698
where: short stacking energy: -33.295
Base-Backbone interact. energy: -0.701
local terms energy: -50.600470
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -220.738976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.738976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.738976 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -71.031
Base-Backbone interact. energy: -0.034
local terms energy: -74.178446
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -12.742
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: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -221.175421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.175421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.175421 (E_RNA)
where:
Base-Base interactions energy: -144.722
where: short stacking energy: -65.072
Base-Backbone interact. energy: -0.031
local terms energy: -76.422684
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -20.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -212.440820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.440820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.440820 (E_RNA)
where:
Base-Base interactions energy: -138.457
where: short stacking energy: -67.051
Base-Backbone interact. energy: -0.024
local terms energy: -73.959468
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -210.633831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.633831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.633831 (E_RNA)
where:
Base-Base interactions energy: -135.513
where: short stacking energy: -58.519
Base-Backbone interact. energy: -1.562
local terms energy: -73.559243
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -193.005014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.005014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.005014 (E_RNA)
where:
Base-Base interactions energy: -129.302
where: short stacking energy: -58.062
Base-Backbone interact. energy: -0.528
local terms energy: -63.175268
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -150.161449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.161449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.161449 (E_RNA)
where:
Base-Base interactions energy: -84.157
where: short stacking energy: -53.804
Base-Backbone interact. energy: -0.101
local terms energy: -65.903378
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -11.619
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: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -84.599573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.599573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.599573 (E_RNA)
where:
Base-Base interactions energy: -34.409
where: short stacking energy: -34.081
Base-Backbone interact. energy: -0.392
local terms energy: -49.798632
where:
bonds (distance) C4'-P energy: -6.022
bonds (distance) P-C4' energy: -9.715
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -88.634423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.634423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.634423 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -28.851
Base-Backbone interact. energy: -0.815
local terms energy: -55.180257
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -100.787295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.787295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.787295 (E_RNA)
where:
Base-Base interactions energy: -46.136
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.600
local terms energy: -54.050789
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -79.992812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.992812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.992812 (E_RNA)
where:
Base-Base interactions energy: -27.237
where: short stacking energy: -24.799
Base-Backbone interact. energy: -0.274
local terms energy: -52.482338
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -2.870
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -223.318982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.318982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.318982 (E_RNA)
where:
Base-Base interactions energy: -146.360
where: short stacking energy: -70.950
Base-Backbone interact. energy: -0.245
local terms energy: -76.713960
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -217.853613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.853613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.853613 (E_RNA)
where:
Base-Base interactions energy: -141.933
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.010
local terms energy: -75.910706
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -20.748
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: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -218.417276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.417276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.417276 (E_RNA)
where:
Base-Base interactions energy: -143.251
where: short stacking energy: -70.643
Base-Backbone interact. energy: -0.002
local terms energy: -75.164100
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -190.911128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.911128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.911128 (E_RNA)
where:
Base-Base interactions energy: -114.843
where: short stacking energy: -52.795
Base-Backbone interact. energy: -0.302
local terms energy: -75.766281
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -207.046841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.046841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.046841 (E_RNA)
where:
Base-Base interactions energy: -132.091
where: short stacking energy: -58.578
Base-Backbone interact. energy: -0.081
local terms energy: -74.875234
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -146.836298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.836298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.836298 (E_RNA)
where:
Base-Base interactions energy: -92.403
where: short stacking energy: -41.598
Base-Backbone interact. energy: -0.516
local terms energy: -53.916731
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -8.138
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: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -93.866127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.866127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.866127 (E_RNA)
where:
Base-Base interactions energy: -31.003
where: short stacking energy: -31.003
Base-Backbone interact. energy: -0.133
local terms energy: -62.730308
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.562
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: 8, replica: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -108.720015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.720015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.720015 (E_RNA)
where:
Base-Base interactions energy: -50.333
where: short stacking energy: -47.260
Base-Backbone interact. energy: 0.498
local terms energy: -58.884119
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -9.480
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: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -83.074672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.074672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.074672 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -32.442
Base-Backbone interact. energy: -0.745
local terms energy: -49.887312
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -8.216
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -73.818914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.818914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.818914 (E_RNA)
where:
Base-Base interactions energy: -32.406
where: short stacking energy: -15.123
Base-Backbone interact. energy: -0.166
local terms energy: -41.247444
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: 3.549
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: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -216.693597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.693597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.693597 (E_RNA)
where:
Base-Base interactions energy: -139.563
where: short stacking energy: -60.754
Base-Backbone interact. energy: -0.000
local terms energy: -77.130028
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -217.827840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.827840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.827840 (E_RNA)
where:
Base-Base interactions energy: -142.119
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.004
local terms energy: -75.704699
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -218.087532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.087532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.087532 (E_RNA)
where:
Base-Base interactions energy: -147.365
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.000
local terms energy: -70.722326
where:
bonds (distance) C4'-P energy: -8.440
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -12.512
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: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -202.288926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.288926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.288926 (E_RNA)
where:
Base-Base interactions energy: -140.312
where: short stacking energy: -59.941
Base-Backbone interact. energy: -0.419
local terms energy: -61.558829
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.307
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: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -202.921808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.921808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.921808 (E_RNA)
where:
Base-Base interactions energy: -134.625
where: short stacking energy: -57.845
Base-Backbone interact. energy: -1.248
local terms energy: -67.049427
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -21.244
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: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -153.087180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.087180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.087180 (E_RNA)
where:
Base-Base interactions energy: -98.237
where: short stacking energy: -49.753
Base-Backbone interact. energy: 0.025
local terms energy: -54.875706
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -10.492
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: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -100.181591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.181591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.181591 (E_RNA)
where:
Base-Base interactions energy: -38.832
where: short stacking energy: -32.204
Base-Backbone interact. energy: -0.043
local terms energy: -61.306898
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -11.482
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: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -86.724495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.724495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.724495 (E_RNA)
where:
Base-Base interactions energy: -40.427
where: short stacking energy: -30.181
Base-Backbone interact. energy: -0.298
local terms energy: -45.999767
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -75.749185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.749185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.749185 (E_RNA)
where:
Base-Base interactions energy: -20.524
where: short stacking energy: -19.335
Base-Backbone interact. energy: -0.226
local terms energy: -54.999386
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -86.665667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.665667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.665667 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -31.609
Base-Backbone interact. energy: -0.005
local terms energy: -55.051477
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -9.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -217.294849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.294849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.294849 (E_RNA)
where:
Base-Base interactions energy: -145.633
where: short stacking energy: -62.017
Base-Backbone interact. energy: -0.008
local terms energy: -71.654046
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -227.202636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.202636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.202636 (E_RNA)
where:
Base-Base interactions energy: -148.074
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.001
local terms energy: -79.127891
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -22.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -221.945643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.945643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.945643 (E_RNA)
where:
Base-Base interactions energy: -142.982
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.875
local terms energy: -78.088796
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -20.472
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: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -205.059449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.059449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.059449 (E_RNA)
where:
Base-Base interactions energy: -135.623
where: short stacking energy: -52.459
Base-Backbone interact. energy: -0.138
local terms energy: -69.298474
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -211.860082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.860082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.860082 (E_RNA)
where:
Base-Base interactions energy: -143.631
where: short stacking energy: -62.115
Base-Backbone interact. energy: -0.102
local terms energy: -68.127278
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -156.072286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.072286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.072286 (E_RNA)
where:
Base-Base interactions energy: -92.816
where: short stacking energy: -51.487
Base-Backbone interact. energy: -0.387
local terms energy: -62.869535
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -94.006285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.006285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.006285 (E_RNA)
where:
Base-Base interactions energy: -35.515
where: short stacking energy: -35.515
Base-Backbone interact. energy: -0.207
local terms energy: -58.284869
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -7.854
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: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -84.789631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789631 (E_RNA)
where:
Base-Base interactions energy: -31.212
where: short stacking energy: -31.212
Base-Backbone interact. energy: 0.723
local terms energy: -54.301051
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.056
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: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -81.289921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.289921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.289921 (E_RNA)
where:
Base-Base interactions energy: -21.589
where: short stacking energy: -21.589
Base-Backbone interact. energy: -0.365
local terms energy: -59.335160
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -81.092221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.092221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.092221 (E_RNA)
where:
Base-Base interactions energy: -32.627
where: short stacking energy: -20.107
Base-Backbone interact. energy: -0.271
local terms energy: -48.193546
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -222.057382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.057382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.057382 (E_RNA)
where:
Base-Base interactions energy: -146.333
where: short stacking energy: -66.524
Base-Backbone interact. energy: -0.846
local terms energy: -74.879258
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -218.705890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.705890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.705890 (E_RNA)
where:
Base-Base interactions energy: -149.146
where: short stacking energy: -68.293
Base-Backbone interact. energy: -0.056
local terms energy: -69.504786
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -213.922405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.922405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.922405 (E_RNA)
where:
Base-Base interactions energy: -146.581
where: short stacking energy: -52.186
Base-Backbone interact. energy: -1.090
local terms energy: -66.251507
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -11.484
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: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -207.020456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.020456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.020456 (E_RNA)
where:
Base-Base interactions energy: -133.695
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.034
local terms energy: -73.291106
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -220.635810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.635810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.635810 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -64.699
Base-Backbone interact. energy: -2.003
local terms energy: -77.793952
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -153.367712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.367712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.367712 (E_RNA)
where:
Base-Base interactions energy: -88.265
where: short stacking energy: -49.659
Base-Backbone interact. energy: -0.043
local terms energy: -65.058915
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -13.426
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: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -105.530303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.530303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.530303 (E_RNA)
where:
Base-Base interactions energy: -53.024
where: short stacking energy: -39.820
Base-Backbone interact. energy: -0.109
local terms energy: -52.397763
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -6.873
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: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -87.638632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.638632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.638632 (E_RNA)
where:
Base-Base interactions energy: -34.806
where: short stacking energy: -29.922
Base-Backbone interact. energy: 1.177
local terms energy: -54.010204
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -6.455
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: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -77.306580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.306580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.306580 (E_RNA)
where:
Base-Base interactions energy: -24.052
where: short stacking energy: -24.052
Base-Backbone interact. energy: -0.295
local terms energy: -52.959719
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -76.117085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.117085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.117085 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -24.245
Base-Backbone interact. energy: 1.543
local terms energy: -44.247961
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: 1.131
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: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -233.201716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.201716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.201716 (E_RNA)
where:
Base-Base interactions energy: -148.688
where: short stacking energy: -67.633
Base-Backbone interact. energy: -0.031
local terms energy: -84.482135
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -22.253
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: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -219.782890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.782890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.782890 (E_RNA)
where:
Base-Base interactions energy: -149.901
where: short stacking energy: -51.705
Base-Backbone interact. energy: -2.153
local terms energy: -67.729847
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -12.592
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: 363
Temperature: 1.000000
Total energy: -217.749865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.749865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.749865 (E_RNA)
where:
Base-Base interactions energy: -147.793
where: short stacking energy: -60.275
Base-Backbone interact. energy: -1.295
local terms energy: -68.661642
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -20.357
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: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -208.329901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.329901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.329901 (E_RNA)
where:
Base-Base interactions energy: -138.121
where: short stacking energy: -60.697
Base-Backbone interact. energy: -0.081
local terms energy: -70.128188
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -201.583830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.583830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.583830 (E_RNA)
where:
Base-Base interactions energy: -128.708
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.890
local terms energy: -71.985986
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -18.244
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: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -146.598263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.598263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.598263 (E_RNA)
where:
Base-Base interactions energy: -83.339
where: short stacking energy: -44.714
Base-Backbone interact. energy: -0.233
local terms energy: -63.026110
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -11.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -113.411389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.411389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.411389 (E_RNA)
where:
Base-Base interactions energy: -48.207
where: short stacking energy: -38.427
Base-Backbone interact. energy: -0.307
local terms energy: -64.897553
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -92.947053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.947053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.947053 (E_RNA)
where:
Base-Base interactions energy: -38.990
where: short stacking energy: -38.366
Base-Backbone interact. energy: -0.342
local terms energy: -53.615247
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -7.382
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: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -87.916243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.916243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.916243 (E_RNA)
where:
Base-Base interactions energy: -37.125
where: short stacking energy: -32.425
Base-Backbone interact. energy: -0.543
local terms energy: -50.247926
where:
bonds (distance) C4'-P energy: -7.093
bonds (distance) P-C4' energy: -8.837
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -82.630694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.630694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.630694 (E_RNA)
where:
Base-Base interactions energy: -30.564
where: short stacking energy: -30.067
Base-Backbone interact. energy: -0.173
local terms energy: -51.894063
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -223.558781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.558781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.558781 (E_RNA)
where:
Base-Base interactions energy: -149.085
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.113
local terms energy: -74.360722
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -221.193273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.193273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.193273 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.038
local terms energy: -77.613777
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -217.861392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.861392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.861392 (E_RNA)
where:
Base-Base interactions energy: -147.524
where: short stacking energy: -55.339
Base-Backbone interact. energy: -0.933
local terms energy: -69.405089
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -16.493
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: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -213.526935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.526935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.526935 (E_RNA)
where:
Base-Base interactions energy: -136.631
where: short stacking energy: -60.999
Base-Backbone interact. energy: -1.030
local terms energy: -75.865609
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -163.225735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.225735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.225735 (E_RNA)
where:
Base-Base interactions energy: -105.621
where: short stacking energy: -44.223
Base-Backbone interact. energy: -0.105
local terms energy: -57.499264
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -10.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -184.594141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.594141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.594141 (E_RNA)
where:
Base-Base interactions energy: -124.763
where: short stacking energy: -49.533
Base-Backbone interact. energy: -0.421
local terms energy: -59.410719
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -124.805067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.805067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.805067 (E_RNA)
where:
Base-Base interactions energy: -71.633
where: short stacking energy: -33.249
Base-Backbone interact. energy: 0.053
local terms energy: -53.225359
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -82.276665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.276665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.276665 (E_RNA)
where:
Base-Base interactions energy: -28.622
where: short stacking energy: -24.593
Base-Backbone interact. energy: -0.090
local terms energy: -53.565282
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -96.139870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.139870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.139870 (E_RNA)
where:
Base-Base interactions energy: -46.075
where: short stacking energy: -43.780
Base-Backbone interact. energy: -0.032
local terms energy: -50.033653
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -78.401972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.401972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.401972 (E_RNA)
where:
Base-Base interactions energy: -26.524
where: short stacking energy: -26.005
Base-Backbone interact. energy: -0.214
local terms energy: -51.663503
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -228.872647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.872647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.872647 (E_RNA)
where:
Base-Base interactions energy: -154.982
where: short stacking energy: -58.952
Base-Backbone interact. energy: -0.081
local terms energy: -73.809717
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -16.218
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: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -218.450853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.450853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.450853 (E_RNA)
where:
Base-Base interactions energy: -141.108
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.007
local terms energy: -77.336123
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -7.571
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: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -218.575576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.575576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.575576 (E_RNA)
where:
Base-Base interactions energy: -141.959
where: short stacking energy: -69.431
Base-Backbone interact. energy: -0.099
local terms energy: -76.517342
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -205.222712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.222712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.222712 (E_RNA)
where:
Base-Base interactions energy: -135.704
where: short stacking energy: -53.860
Base-Backbone interact. energy: -1.119
local terms energy: -68.400240
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -13.223
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: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -151.059284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.059284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.059284 (E_RNA)
where:
Base-Base interactions energy: -89.603
where: short stacking energy: -44.359
Base-Backbone interact. energy: -0.256
local terms energy: -61.201095
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -12.578
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: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -203.792761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.792761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.792761 (E_RNA)
where:
Base-Base interactions energy: -137.277
where: short stacking energy: -63.945
Base-Backbone interact. energy: -0.511
local terms energy: -66.005133
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -111.512344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.512344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.512344 (E_RNA)
where:
Base-Base interactions energy: -54.987
where: short stacking energy: -41.409
Base-Backbone interact. energy: -0.025
local terms energy: -56.499989
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -92.754575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.754575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.754575 (E_RNA)
where:
Base-Base interactions energy: -39.148
where: short stacking energy: -39.148
Base-Backbone interact. energy: -1.104
local terms energy: -52.502704
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -83.068054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.068054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.068054 (E_RNA)
where:
Base-Base interactions energy: -36.551
where: short stacking energy: -35.880
Base-Backbone interact. energy: 0.206
local terms energy: -46.722270
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -6.363
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -93.046654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.046654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.046654 (E_RNA)
where:
Base-Base interactions energy: -41.156
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.173
local terms energy: -51.717806
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -7.425
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -7.723
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: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -223.204511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.204511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.204511 (E_RNA)
where:
Base-Base interactions energy: -151.607
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.742
local terms energy: -70.855045
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -219.934512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.934512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.934512 (E_RNA)
where:
Base-Base interactions energy: -142.943
where: short stacking energy: -71.697
Base-Backbone interact. energy: 0.049
local terms energy: -77.040468
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -215.315077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.315077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.315077 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -55.782
Base-Backbone interact. energy: -0.035
local terms energy: -71.718320
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -8.574
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: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -195.068974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.068974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.068974 (E_RNA)
where:
Base-Base interactions energy: -130.157
where: short stacking energy: -62.023
Base-Backbone interact. energy: -1.257
local terms energy: -63.654287
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -206.472971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.472971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.472971 (E_RNA)
where:
Base-Base interactions energy: -130.934
where: short stacking energy: -60.026
Base-Backbone interact. energy: -1.147
local terms energy: -74.391920
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -7.988
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: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -153.961303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.961303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.961303 (E_RNA)
where:
Base-Base interactions energy: -97.779
where: short stacking energy: -49.507
Base-Backbone interact. energy: -0.167
local terms energy: -56.015282
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -8.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -125.898563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.898563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.898563 (E_RNA)
where:
Base-Base interactions energy: -76.530
where: short stacking energy: -36.282
Base-Backbone interact. energy: -0.134
local terms energy: -49.234574
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -7.309
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -103.152349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.152349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.152349 (E_RNA)
where:
Base-Base interactions energy: -59.164
where: short stacking energy: -33.946
Base-Backbone interact. energy: 0.138
local terms energy: -44.126354
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -1.592
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: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -79.222787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.222787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.222787 (E_RNA)
where:
Base-Base interactions energy: -34.142
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.093
local terms energy: -44.987843
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: 0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -82.104954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.104954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.104954 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.095
local terms energy: -49.800590
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -227.895011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.895011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.895011 (E_RNA)
where:
Base-Base interactions energy: -154.084
where: short stacking energy: -53.052
Base-Backbone interact. energy: -2.407
local terms energy: -71.403816
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -222.533617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.533617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.533617 (E_RNA)
where:
Base-Base interactions energy: -139.171
where: short stacking energy: -60.196
Base-Backbone interact. energy: -2.279
local terms energy: -81.083397
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -212.342665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.342665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.342665 (E_RNA)
where:
Base-Base interactions energy: -135.707
where: short stacking energy: -67.899
Base-Backbone interact. energy: -0.387
local terms energy: -76.248784
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -202.002677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.002677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.002677 (E_RNA)
where:
Base-Base interactions energy: -132.357
where: short stacking energy: -61.559
Base-Backbone interact. energy: -0.598
local terms energy: -69.047741
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -182.481763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.481763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.481763 (E_RNA)
where:
Base-Base interactions energy: -122.474
where: short stacking energy: -49.530
Base-Backbone interact. energy: -0.350
local terms energy: -59.657422
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -7.507
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: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -141.806387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.806387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.806387 (E_RNA)
where:
Base-Base interactions energy: -81.562
where: short stacking energy: -42.379
Base-Backbone interact. energy: 0.364
local terms energy: -60.608060
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -130.552036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.552036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.552036 (E_RNA)
where:
Base-Base interactions energy: -74.144
where: short stacking energy: -32.509
Base-Backbone interact. energy: -0.108
local terms energy: -56.299639
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -1.934
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: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -98.425779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.425779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.425779 (E_RNA)
where:
Base-Base interactions energy: -43.845
where: short stacking energy: -41.452
Base-Backbone interact. energy: -0.128
local terms energy: -54.452256
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -8.147
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -91.138959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.138959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.138959 (E_RNA)
where:
Base-Base interactions energy: -42.256
where: short stacking energy: -26.695
Base-Backbone interact. energy: -0.503
local terms energy: -48.379153
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -81.284155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.284155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.284155 (E_RNA)
where:
Base-Base interactions energy: -32.100
where: short stacking energy: -27.161
Base-Backbone interact. energy: -0.051
local terms energy: -49.133969
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -228.478022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.478022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.478022 (E_RNA)
where:
Base-Base interactions energy: -153.799
where: short stacking energy: -54.077
Base-Backbone interact. energy: -0.931
local terms energy: -73.747577
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -219.700957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.700957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.700957 (E_RNA)
where:
Base-Base interactions energy: -148.628
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.013
local terms energy: -71.059934
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -215.838440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.838440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.838440 (E_RNA)
where:
Base-Base interactions energy: -133.006
where: short stacking energy: -58.877
Base-Backbone interact. energy: -1.381
local terms energy: -81.451132
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -21.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -210.117292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.117292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.117292 (E_RNA)
where:
Base-Base interactions energy: -132.167
where: short stacking energy: -59.566
Base-Backbone interact. energy: -0.000
local terms energy: -77.950353
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -199.216865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.216865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.216865 (E_RNA)
where:
Base-Base interactions energy: -131.581
where: short stacking energy: -66.137
Base-Backbone interact. energy: -0.313
local terms energy: -67.322397
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -147.250865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.250865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.250865 (E_RNA)
where:
Base-Base interactions energy: -85.131
where: short stacking energy: -46.236
Base-Backbone interact. energy: -0.274
local terms energy: -61.846076
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -7.469
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: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -90.436388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.436388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.436388 (E_RNA)
where:
Base-Base interactions energy: -34.999
where: short stacking energy: -34.999
Base-Backbone interact. energy: -0.076
local terms energy: -55.361603
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -9.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -131.517719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.517719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.517719 (E_RNA)
where:
Base-Base interactions energy: -84.636
where: short stacking energy: -39.071
Base-Backbone interact. energy: 0.867
local terms energy: -47.749220
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -10.021
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: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -85.092782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.092782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.092782 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -21.573
Base-Backbone interact. energy: -0.107
local terms energy: -51.298930
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -91.971095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.971095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.971095 (E_RNA)
where:
Base-Base interactions energy: -42.557
where: short stacking energy: -31.811
Base-Backbone interact. energy: -0.533
local terms energy: -48.881407
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -9.426
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: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -225.984734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.984734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.984734 (E_RNA)
where:
Base-Base interactions energy: -155.888
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.087
local terms energy: -70.009902
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -14.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -212.759536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.759536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.759536 (E_RNA)
where:
Base-Base interactions energy: -137.931
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.034
local terms energy: -74.794717
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -223.231354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.231354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231354 (E_RNA)
where:
Base-Base interactions energy: -140.939
where: short stacking energy: -65.945
Base-Backbone interact. energy: -0.368
local terms energy: -81.924235
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -202.985177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.985177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.985177 (E_RNA)
where:
Base-Base interactions energy: -135.212
where: short stacking energy: -62.295
Base-Backbone interact. energy: -0.163
local terms energy: -67.610182
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -8.089
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: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -203.440201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.440201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.440201 (E_RNA)
where:
Base-Base interactions energy: -139.322
where: short stacking energy: -65.908
Base-Backbone interact. energy: -1.290
local terms energy: -62.828580
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -98.719200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.719200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.719200 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -36.870
Base-Backbone interact. energy: -0.006
local terms energy: -60.277172
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -7.654
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: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -141.110977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.110977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.110977 (E_RNA)
where:
Base-Base interactions energy: -89.325
where: short stacking energy: -35.943
Base-Backbone interact. energy: -0.770
local terms energy: -51.016271
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -82.435737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.435737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.435737 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.110
local terms energy: -53.939587
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -120.104479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.104479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.104479 (E_RNA)
where:
Base-Base interactions energy: -72.606
where: short stacking energy: -33.839
Base-Backbone interact. energy: 0.185
local terms energy: -47.683918
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -77.842142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.842142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.842142 (E_RNA)
where:
Base-Base interactions energy: -24.176
where: short stacking energy: -17.942
Base-Backbone interact. energy: 0.781
local terms energy: -54.447400
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -5.878
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: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -220.360648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.360648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.360648 (E_RNA)
where:
Base-Base interactions energy: -151.148
where: short stacking energy: -61.849
Base-Backbone interact. energy: -0.023
local terms energy: -69.189541
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -214.665618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.665618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.665618 (E_RNA)
where:
Base-Base interactions energy: -137.433
where: short stacking energy: -57.999
Base-Backbone interact. energy: -0.084
local terms energy: -77.148233
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -198.468937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.468937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.468937 (E_RNA)
where:
Base-Base interactions energy: -127.240
where: short stacking energy: -53.601
Base-Backbone interact. energy: -0.170
local terms energy: -71.058864
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -13.565
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: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -199.459353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.459353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.459353 (E_RNA)
where:
Base-Base interactions energy: -125.448
where: short stacking energy: -43.290
Base-Backbone interact. energy: -0.253
local terms energy: -73.758216
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -14.831
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: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -208.272120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.272120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.272120 (E_RNA)
where:
Base-Base interactions energy: -138.824
where: short stacking energy: -69.147
Base-Backbone interact. energy: -0.010
local terms energy: -69.438773
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -92.991391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991391 (E_RNA)
where:
Base-Base interactions energy: -41.880
where: short stacking energy: -37.533
Base-Backbone interact. energy: -0.022
local terms energy: -51.089444
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -102.794221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.794221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.794221 (E_RNA)
where:
Base-Base interactions energy: -46.955
where: short stacking energy: -29.826
Base-Backbone interact. energy: 1.002
local terms energy: -56.841449
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -8.232
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: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -96.559946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.559946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.559946 (E_RNA)
where:
Base-Base interactions energy: -41.898
where: short stacking energy: -22.370
Base-Backbone interact. energy: -0.411
local terms energy: -54.250974
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: 3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -81.349172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.349172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.349172 (E_RNA)
where:
Base-Base interactions energy: -25.987
where: short stacking energy: -23.290
Base-Backbone interact. energy: -0.377
local terms energy: -54.984698
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -78.456392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.456392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.456392 (E_RNA)
where:
Base-Base interactions energy: -35.216
where: short stacking energy: -28.975
Base-Backbone interact. energy: -0.169
local terms energy: -43.070911
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: 3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -217.374048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.374048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.374048 (E_RNA)
where:
Base-Base interactions energy: -145.887
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.336
local terms energy: -71.150545
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -204.899035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.899035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.899035 (E_RNA)
where:
Base-Base interactions energy: -127.426
where: short stacking energy: -59.936
Base-Backbone interact. energy: -0.001
local terms energy: -77.471813
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -206.469234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.469234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.469234 (E_RNA)
where:
Base-Base interactions energy: -141.672
where: short stacking energy: -53.925
Base-Backbone interact. energy: -0.198
local terms energy: -64.599436
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -12.440
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: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -215.474188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.474188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.474188 (E_RNA)
where:
Base-Base interactions energy: -145.967
where: short stacking energy: -69.254
Base-Backbone interact. energy: -0.249
local terms energy: -69.258044
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -8.532
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -199.238254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.238254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.238254 (E_RNA)
where:
Base-Base interactions energy: -132.542
where: short stacking energy: -53.233
Base-Backbone interact. energy: -0.920
local terms energy: -65.776100
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -16.776
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: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -94.038048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.038048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.038048 (E_RNA)
where:
Base-Base interactions energy: -39.163
where: short stacking energy: -35.490
Base-Backbone interact. energy: -0.019
local terms energy: -54.855418
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -92.622311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.622311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.622311 (E_RNA)
where:
Base-Base interactions energy: -47.029
where: short stacking energy: -41.578
Base-Backbone interact. energy: -0.132
local terms energy: -45.461252
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -2.505
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: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -83.114857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.114857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.114857 (E_RNA)
where:
Base-Base interactions energy: -28.986
where: short stacking energy: -22.892
Base-Backbone interact. energy: 0.594
local terms energy: -54.723275
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -84.607715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.607715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.607715 (E_RNA)
where:
Base-Base interactions energy: -32.790
where: short stacking energy: -32.790
Base-Backbone interact. energy: -0.173
local terms energy: -51.645337
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -75.659621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.659621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.659621 (E_RNA)
where:
Base-Base interactions energy: -27.372
where: short stacking energy: -19.276
Base-Backbone interact. energy: 0.560
local terms energy: -48.847272
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -220.629650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.629650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.629650 (E_RNA)
where:
Base-Base interactions energy: -141.007
where: short stacking energy: -69.152
Base-Backbone interact. energy: -0.100
local terms energy: -79.522057
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -204.980616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.980616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.980616 (E_RNA)
where:
Base-Base interactions energy: -129.836
where: short stacking energy: -54.832
Base-Backbone interact. energy: -1.079
local terms energy: -74.065874
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -14.115
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: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -204.198947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.198947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.198947 (E_RNA)
where:
Base-Base interactions energy: -131.549
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.070
local terms energy: -72.580007
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -207.409783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.409783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.409783 (E_RNA)
where:
Base-Base interactions energy: -130.018
where: short stacking energy: -61.256
Base-Backbone interact. energy: -0.323
local terms energy: -77.068882
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -109.073951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.073951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.073951 (E_RNA)
where:
Base-Base interactions energy: -45.284
where: short stacking energy: -42.868
Base-Backbone interact. energy: -0.007
local terms energy: -63.783377
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -193.368685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.368685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.368685 (E_RNA)
where:
Base-Base interactions energy: -131.762
where: short stacking energy: -52.875
Base-Backbone interact. energy: -1.852
local terms energy: -59.754975
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -13.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -85.485208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.485208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.485208 (E_RNA)
where:
Base-Base interactions energy: -39.362
where: short stacking energy: -29.679
Base-Backbone interact. energy: 4.010
local terms energy: -50.133019
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -91.103348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.103348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.103348 (E_RNA)
where:
Base-Base interactions energy: -33.015
where: short stacking energy: -33.015
Base-Backbone interact. energy: -0.122
local terms energy: -57.966549
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -8.979
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: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -97.668223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.668223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.668223 (E_RNA)
where:
Base-Base interactions energy: -42.847
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.508
local terms energy: -54.313390
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -79.082750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.082750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.082750 (E_RNA)
where:
Base-Base interactions energy: -42.961
where: short stacking energy: -22.224
Base-Backbone interact. energy: -0.009
local terms energy: -36.112977
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -2.395
tors. eta vs tors. theta energy: 3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -225.487359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.487359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.487359 (E_RNA)
where:
Base-Base interactions energy: -153.473
where: short stacking energy: -72.171
Base-Backbone interact. energy: -0.098
local terms energy: -71.916625
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -9.722
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -19.022
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: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -209.561768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.561768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.561768 (E_RNA)
where:
Base-Base interactions energy: -137.923
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.057
local terms energy: -71.581696
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -196.875944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.875944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.875944 (E_RNA)
where:
Base-Base interactions energy: -125.470
where: short stacking energy: -59.672
Base-Backbone interact. energy: -0.252
local terms energy: -71.154176
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -15.576
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: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -213.259385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.259385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.259385 (E_RNA)
where:
Base-Base interactions energy: -143.196
where: short stacking energy: -63.389
Base-Backbone interact. energy: -0.711
local terms energy: -69.352807
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -8.475
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: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -105.479436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.479436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.479436 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -35.890
Base-Backbone interact. energy: -0.162
local terms energy: -61.297767
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -9.952
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: 373
Temperature: 1.150000
Total energy: -99.733388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.733388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.733388 (E_RNA)
where:
Base-Base interactions energy: -43.103
where: short stacking energy: -42.831
Base-Backbone interact. energy: -0.128
local terms energy: -56.501803
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -136.434271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.434271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.434271 (E_RNA)
where:
Base-Base interactions energy: -84.723
where: short stacking energy: -31.822
Base-Backbone interact. energy: -0.260
local terms energy: -51.451352
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -94.281104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.281104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.281104 (E_RNA)
where:
Base-Base interactions energy: -44.843
where: short stacking energy: -29.008
Base-Backbone interact. energy: 1.413
local terms energy: -50.851486
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -83.250188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.250188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.250188 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -31.255
Base-Backbone interact. energy: -0.048
local terms energy: -46.639320
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -6.263
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: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -76.405360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405360 (E_RNA)
where:
Base-Base interactions energy: -26.197
where: short stacking energy: -21.721
Base-Backbone interact. energy: -0.191
local terms energy: -50.017674
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -0.283
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: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -216.402356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.402356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.402356 (E_RNA)
where:
Base-Base interactions energy: -146.944
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.079
local terms energy: -69.380153
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -212.676728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.676728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.676728 (E_RNA)
where:
Base-Base interactions energy: -136.448
where: short stacking energy: -59.358
Base-Backbone interact. energy: -0.151
local terms energy: -76.077556
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -214.930806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.930806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.930806 (E_RNA)
where:
Base-Base interactions energy: -139.781
where: short stacking energy: -63.412
Base-Backbone interact. energy: -0.120
local terms energy: -75.029823
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -209.670057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.670057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.670057 (E_RNA)
where:
Base-Base interactions energy: -141.811
where: short stacking energy: -66.020
Base-Backbone interact. energy: -0.670
local terms energy: -67.188562
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -20.307
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: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -110.377872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.377872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.377872 (E_RNA)
where:
Base-Base interactions energy: -42.865
where: short stacking energy: -38.520
Base-Backbone interact. energy: -0.051
local terms energy: -67.462339
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -10.007
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: 374
Temperature: 1.150000
Total energy: -91.878704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.878704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.878704 (E_RNA)
where:
Base-Base interactions energy: -44.404
where: short stacking energy: -30.490
Base-Backbone interact. energy: 0.026
local terms energy: -47.500472
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -142.586364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.586364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.586364 (E_RNA)
where:
Base-Base interactions energy: -88.968
where: short stacking energy: -43.080
Base-Backbone interact. energy: -0.270
local terms energy: -53.348334
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -75.907018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.907018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.907018 (E_RNA)
where:
Base-Base interactions energy: -24.158
where: short stacking energy: -24.658
Base-Backbone interact. energy: -0.070
local terms energy: -51.679240
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -87.944231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944231 (E_RNA)
where:
Base-Base interactions energy: -30.151
where: short stacking energy: -28.683
Base-Backbone interact. energy: 0.375
local terms energy: -58.168655
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -88.527614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.527614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.527614 (E_RNA)
where:
Base-Base interactions energy: -35.649
where: short stacking energy: -26.293
Base-Backbone interact. energy: -0.158
local terms energy: -52.720000
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -216.211270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.211270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.211270 (E_RNA)
where:
Base-Base interactions energy: -140.221
where: short stacking energy: -72.201
Base-Backbone interact. energy: -0.045
local terms energy: -75.945896
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -209.324900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.324900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.324900 (E_RNA)
where:
Base-Base interactions energy: -140.415
where: short stacking energy: -62.598
Base-Backbone interact. energy: -0.371
local terms energy: -68.538652
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -208.039722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.039722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.039722 (E_RNA)
where:
Base-Base interactions energy: -133.081
where: short stacking energy: -62.370
Base-Backbone interact. energy: -0.039
local terms energy: -74.919776
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -10.401
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: 375
Temperature: 1.050000
Total energy: -209.843863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.843863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.843863 (E_RNA)
where:
Base-Base interactions energy: -140.443
where: short stacking energy: -64.678
Base-Backbone interact. energy: -0.018
local terms energy: -69.383350
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -116.681761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.681761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.681761 (E_RNA)
where:
Base-Base interactions energy: -56.354
where: short stacking energy: -44.306
Base-Backbone interact. energy: -0.067
local terms energy: -60.261543
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -151.101671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.101671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.101671 (E_RNA)
where:
Base-Base interactions energy: -92.485
where: short stacking energy: -44.611
Base-Backbone interact. energy: -0.365
local terms energy: -58.251741
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -87.578549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.578549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.578549 (E_RNA)
where:
Base-Base interactions energy: -42.622
where: short stacking energy: -34.356
Base-Backbone interact. energy: -0.119
local terms energy: -44.837564
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -89.852118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.852118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.852118 (E_RNA)
where:
Base-Base interactions energy: -39.175
where: short stacking energy: -29.964
Base-Backbone interact. energy: -0.157
local terms energy: -50.520029
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -9.394
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: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -88.553276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.553276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.553276 (E_RNA)
where:
Base-Base interactions energy: -38.451
where: short stacking energy: -38.451
Base-Backbone interact. energy: -0.149
local terms energy: -49.953004
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -82.842912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.842912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.842912 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -33.383
Base-Backbone interact. energy: -0.163
local terms energy: -49.297829
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -221.248405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.248405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.248405 (E_RNA)
where:
Base-Base interactions energy: -141.648
where: short stacking energy: -62.565
Base-Backbone interact. energy: -0.047
local terms energy: -79.553069
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -209.017739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.017739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.017739 (E_RNA)
where:
Base-Base interactions energy: -136.638
where: short stacking energy: -56.156
Base-Backbone interact. energy: -0.050
local terms energy: -72.329214
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -212.939120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.939120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.939120 (E_RNA)
where:
Base-Base interactions energy: -142.695
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.883
local terms energy: -69.361078
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -211.787256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.787256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.787256 (E_RNA)
where:
Base-Base interactions energy: -140.154
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.054
local terms energy: -71.579327
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -171.202422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.202422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.202422 (E_RNA)
where:
Base-Base interactions energy: -106.355
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.215
local terms energy: -64.632718
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -104.830045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.830045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.830045 (E_RNA)
where:
Base-Base interactions energy: -50.922
where: short stacking energy: -37.723
Base-Backbone interact. energy: -0.096
local terms energy: -53.811352
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -7.349
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: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -87.745428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.745428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.745428 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -33.421
Base-Backbone interact. energy: -0.009
local terms energy: -52.433105
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -10.322
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: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -88.590468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.590468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.590468 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -37.131
Base-Backbone interact. energy: -0.098
local terms energy: -50.682324
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -84.962674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.962674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.962674 (E_RNA)
where:
Base-Base interactions energy: -29.018
where: short stacking energy: -26.181
Base-Backbone interact. energy: -0.440
local terms energy: -55.505154
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -72.945435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.945435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.945435 (E_RNA)
where:
Base-Base interactions energy: -20.476
where: short stacking energy: -20.346
Base-Backbone interact. energy: -0.138
local terms energy: -52.331622
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -2.130
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: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -222.096913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.096913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.096913 (E_RNA)
where:
Base-Base interactions energy: -142.569
where: short stacking energy: -65.438
Base-Backbone interact. energy: -1.563
local terms energy: -77.964636
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -219.329301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.329301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329301 (E_RNA)
where:
Base-Base interactions energy: -143.309
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.023
local terms energy: -75.997145
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -216.324415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.324415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.324415 (E_RNA)
where:
Base-Base interactions energy: -140.758
where: short stacking energy: -68.176
Base-Backbone interact. energy: -0.178
local terms energy: -75.388646
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -21.410
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: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -203.185384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.185384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.185384 (E_RNA)
where:
Base-Base interactions energy: -137.651
where: short stacking energy: -62.981
Base-Backbone interact. energy: -0.084
local terms energy: -65.451202
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -15.012
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: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -166.713769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.713769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.713769 (E_RNA)
where:
Base-Base interactions energy: -100.647
where: short stacking energy: -46.036
Base-Backbone interact. energy: -1.999
local terms energy: -64.068300
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -101.526911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.526911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.526911 (E_RNA)
where:
Base-Base interactions energy: -40.182
where: short stacking energy: -40.182
Base-Backbone interact. energy: -0.001
local terms energy: -61.343821
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -83.808988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.808988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.808988 (E_RNA)
where:
Base-Base interactions energy: -34.971
where: short stacking energy: -34.558
Base-Backbone interact. energy: -0.106
local terms energy: -48.732212
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -7.708
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: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -89.791083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.791083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.791083 (E_RNA)
where:
Base-Base interactions energy: -44.358
where: short stacking energy: -36.973
Base-Backbone interact. energy: -0.228
local terms energy: -45.205082
where:
bonds (distance) C4'-P energy: -5.979
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -79.893508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.893508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.893508 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -31.214
Base-Backbone interact. energy: -0.007
local terms energy: -44.205425
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -72.016583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.016583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.016583 (E_RNA)
where:
Base-Base interactions energy: -16.249
where: short stacking energy: -15.943
Base-Backbone interact. energy: -0.206
local terms energy: -55.561248
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -2.745
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: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -226.263925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.263925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.263925 (E_RNA)
where:
Base-Base interactions energy: -153.022
where: short stacking energy: -70.364
Base-Backbone interact. energy: -0.073
local terms energy: -73.168891
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -6.938
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: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -223.491409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.491409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.491409 (E_RNA)
where:
Base-Base interactions energy: -147.536
where: short stacking energy: -73.422
Base-Backbone interact. energy: -0.043
local terms energy: -75.912148
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -207.782975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.782975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.782975 (E_RNA)
where:
Base-Base interactions energy: -131.251
where: short stacking energy: -63.624
Base-Backbone interact. energy: -0.650
local terms energy: -75.882016
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -211.902495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.902495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.902495 (E_RNA)
where:
Base-Base interactions energy: -135.321
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.411
local terms energy: -76.171131
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -16.772
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: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -189.491157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.491157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.491157 (E_RNA)
where:
Base-Base interactions energy: -110.928
where: short stacking energy: -58.286
Base-Backbone interact. energy: -0.391
local terms energy: -78.172927
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -97.079092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.079092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.079092 (E_RNA)
where:
Base-Base interactions energy: -36.345
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.110
local terms energy: -60.624045
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -99.336466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.336466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.336466 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -36.384
Base-Backbone interact. energy: -0.007
local terms energy: -62.945651
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -6.966
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: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -88.871541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.871541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.871541 (E_RNA)
where:
Base-Base interactions energy: -38.779
where: short stacking energy: -38.779
Base-Backbone interact. energy: -0.128
local terms energy: -49.964656
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -79.335402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.335402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.335402 (E_RNA)
where:
Base-Base interactions energy: -31.867
where: short stacking energy: -31.867
Base-Backbone interact. energy: -0.150
local terms energy: -47.318589
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -82.742967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.742967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.742967 (E_RNA)
where:
Base-Base interactions energy: -32.880
where: short stacking energy: -18.200
Base-Backbone interact. energy: -0.019
local terms energy: -49.843575
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -233.666607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.666607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.666607 (E_RNA)
where:
Base-Base interactions energy: -154.756
where: short stacking energy: -74.009
Base-Backbone interact. energy: -0.009
local terms energy: -78.902363
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -222.651863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.651863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.651863 (E_RNA)
where:
Base-Base interactions energy: -146.503
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.155
local terms energy: -75.993695
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -214.548146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.548146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.548146 (E_RNA)
where:
Base-Base interactions energy: -141.513
where: short stacking energy: -65.875
Base-Backbone interact. energy: -0.904
local terms energy: -72.130799
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -23.095
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: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -212.137026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.137026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.137026 (E_RNA)
where:
Base-Base interactions energy: -135.150
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.372
local terms energy: -76.615341
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -168.551817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.551817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.551817 (E_RNA)
where:
Base-Base interactions energy: -101.015
where: short stacking energy: -48.019
Base-Backbone interact. energy: -0.078
local terms energy: -67.458241
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -99.831738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.831738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.831738 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -39.098
Base-Backbone interact. energy: 0.348
local terms energy: -57.979171
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -6.185
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: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -100.989545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.989545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.989545 (E_RNA)
where:
Base-Base interactions energy: -55.694
where: short stacking energy: -30.513
Base-Backbone interact. energy: -0.292
local terms energy: -45.003464
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -8.631
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: 3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -88.928857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.928857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.928857 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -40.036
Base-Backbone interact. energy: -0.075
local terms energy: -48.817218
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -89.369593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.369593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.369593 (E_RNA)
where:
Base-Base interactions energy: -34.555
where: short stacking energy: -32.180
Base-Backbone interact. energy: -0.169
local terms energy: -54.645702
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -83.138109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.138109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.138109 (E_RNA)
where:
Base-Base interactions energy: -45.085
where: short stacking energy: -23.283
Base-Backbone interact. energy: 0.188
local terms energy: -38.240987
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -1.371
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -224.120068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.120068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.120068 (E_RNA)
where:
Base-Base interactions energy: -141.011
where: short stacking energy: -60.330
Base-Backbone interact. energy: -1.133
local terms energy: -81.975560
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -221.030463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.030463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.030463 (E_RNA)
where:
Base-Base interactions energy: -139.639
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.001
local terms energy: -81.390853
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -219.338334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.338334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.338334 (E_RNA)
where:
Base-Base interactions energy: -157.227
where: short stacking energy: -68.080
Base-Backbone interact. energy: -0.637
local terms energy: -61.474313
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -199.441465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.441465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.441465 (E_RNA)
where:
Base-Base interactions energy: -138.152
where: short stacking energy: -57.653
Base-Backbone interact. energy: -0.082
local terms energy: -61.207955
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -153.374317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.374317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.374317 (E_RNA)
where:
Base-Base interactions energy: -92.482
where: short stacking energy: -49.029
Base-Backbone interact. energy: -0.071
local terms energy: -60.821576
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -10.811
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: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -97.807665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.807665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.807665 (E_RNA)
where:
Base-Base interactions energy: -42.566
where: short stacking energy: -42.396
Base-Backbone interact. energy: -0.086
local terms energy: -55.155281
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -97.105939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.105939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.105939 (E_RNA)
where:
Base-Base interactions energy: -44.800
where: short stacking energy: -25.752
Base-Backbone interact. energy: -0.176
local terms energy: -52.129892
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -7.345
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: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -91.691496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.691496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.691496 (E_RNA)
where:
Base-Base interactions energy: -36.617
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.686
local terms energy: -54.388148
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -12.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -83.719475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.719475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.719475 (E_RNA)
where:
Base-Base interactions energy: -40.477
where: short stacking energy: -35.335
Base-Backbone interact. energy: 0.283
local terms energy: -43.525055
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -8.606
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -85.680655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.680655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.680655 (E_RNA)
where:
Base-Base interactions energy: -28.721
where: short stacking energy: -26.957
Base-Backbone interact. energy: -0.058
local terms energy: -56.901592
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -221.369367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.369367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.369367 (E_RNA)
where:
Base-Base interactions energy: -145.488
where: short stacking energy: -71.284
Base-Backbone interact. energy: -1.161
local terms energy: -74.720335
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -222.540731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.540731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.540731 (E_RNA)
where:
Base-Base interactions energy: -149.208
where: short stacking energy: -74.859
Base-Backbone interact. energy: -0.078
local terms energy: -73.254695
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -17.324
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: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -217.708278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.708278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.708278 (E_RNA)
where:
Base-Base interactions energy: -138.704
where: short stacking energy: -64.359
Base-Backbone interact. energy: -0.052
local terms energy: -78.952378
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.305
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: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -192.155149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.155149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.155149 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -39.176
Base-Backbone interact. energy: -0.277
local terms energy: -64.689288
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -155.695391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.695391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.695391 (E_RNA)
where:
Base-Base interactions energy: -90.896
where: short stacking energy: -50.333
Base-Backbone interact. energy: -0.057
local terms energy: -64.742443
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -13.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -99.719791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.719791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.719791 (E_RNA)
where:
Base-Base interactions energy: -45.202
where: short stacking energy: -31.805
Base-Backbone interact. energy: -0.177
local terms energy: -54.341246
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -4.505
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: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -95.467933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.467933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.467933 (E_RNA)
where:
Base-Base interactions energy: -36.972
where: short stacking energy: -36.972
Base-Backbone interact. energy: -0.104
local terms energy: -58.391723
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -4.696
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: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -85.217186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.217186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.217186 (E_RNA)
where:
Base-Base interactions energy: -29.970
where: short stacking energy: -25.737
Base-Backbone interact. energy: -0.190
local terms energy: -55.058013
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -0.973
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: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -82.857134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.857134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.857134 (E_RNA)
where:
Base-Base interactions energy: -39.385
where: short stacking energy: -25.849
Base-Backbone interact. energy: -0.261
local terms energy: -43.211219
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: 3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -76.793429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.793429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.793429 (E_RNA)
where:
Base-Base interactions energy: -30.487
where: short stacking energy: -30.487
Base-Backbone interact. energy: -0.323
local terms energy: -45.983576
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -2.450
flat angles P-C4'-P energy: -9.895
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: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -221.872042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.872042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.872042 (E_RNA)
where:
Base-Base interactions energy: -141.484
where: short stacking energy: -65.514
Base-Backbone interact. energy: -1.333
local terms energy: -79.054784
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -221.677535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.677535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.677535 (E_RNA)
where:
Base-Base interactions energy: -142.527
where: short stacking energy: -62.101
Base-Backbone interact. energy: -1.079
local terms energy: -78.070967
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -214.071404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.071404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.071404 (E_RNA)
where:
Base-Base interactions energy: -145.164
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.981
local terms energy: -67.926624
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -194.439829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.439829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.439829 (E_RNA)
where:
Base-Base interactions energy: -130.470
where: short stacking energy: -44.573
Base-Backbone interact. energy: -1.165
local terms energy: -62.804888
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -150.116005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.116005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.116005 (E_RNA)
where:
Base-Base interactions energy: -91.678
where: short stacking energy: -44.496
Base-Backbone interact. energy: -0.825
local terms energy: -57.613685
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -8.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -89.477953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.477953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.477953 (E_RNA)
where:
Base-Base interactions energy: -45.622
where: short stacking energy: -36.578
Base-Backbone interact. energy: -0.237
local terms energy: -43.619417
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -1.676
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -90.348959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.348959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.348959 (E_RNA)
where:
Base-Base interactions energy: -32.459
where: short stacking energy: -32.459
Base-Backbone interact. energy: -0.008
local terms energy: -57.881502
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -11.927
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: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -95.509603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.509603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.509603 (E_RNA)
where:
Base-Base interactions energy: -39.207
where: short stacking energy: -38.879
Base-Backbone interact. energy: -0.027
local terms energy: -56.275259
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -6.883
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: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -82.307916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.307916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.307916 (E_RNA)
where:
Base-Base interactions energy: -37.746
where: short stacking energy: -36.459
Base-Backbone interact. energy: -0.229
local terms energy: -44.332417
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -6.396
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -83.824417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.824417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.824417 (E_RNA)
where:
Base-Base interactions energy: -36.383
where: short stacking energy: -26.791
Base-Backbone interact. energy: -0.061
local terms energy: -47.379951
where:
bonds (distance) C4'-P energy: -8.444
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -227.758390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.758390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.758390 (E_RNA)
where:
Base-Base interactions energy: -150.373
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.947
local terms energy: -76.437494
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -219.543236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.543236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.543236 (E_RNA)
where:
Base-Base interactions energy: -140.898
where: short stacking energy: -60.763
Base-Backbone interact. energy: -0.072
local terms energy: -78.573432
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -211.555676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.555676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.555676 (E_RNA)
where:
Base-Base interactions energy: -141.908
where: short stacking energy: -65.965
Base-Backbone interact. energy: 1.441
local terms energy: -71.088772
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -194.898858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.898858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.898858 (E_RNA)
where:
Base-Base interactions energy: -126.613
where: short stacking energy: -46.368
Base-Backbone interact. energy: -0.201
local terms energy: -68.085700
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -151.958263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.958263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.958263 (E_RNA)
where:
Base-Base interactions energy: -88.684
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.026
local terms energy: -63.247935
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -91.347389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.347389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.347389 (E_RNA)
where:
Base-Base interactions energy: -43.459
where: short stacking energy: -43.459
Base-Backbone interact. energy: -0.180
local terms energy: -47.708391
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -87.332074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.332074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.332074 (E_RNA)
where:
Base-Base interactions energy: -33.623
where: short stacking energy: -33.623
Base-Backbone interact. energy: -0.032
local terms energy: -53.677112
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -91.454086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.454086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.454086 (E_RNA)
where:
Base-Base interactions energy: -32.894
where: short stacking energy: -32.894
Base-Backbone interact. energy: -0.011
local terms energy: -58.549045
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -81.444075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.444075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.444075 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -23.188
Base-Backbone interact. energy: -0.385
local terms energy: -46.660980
where:
bonds (distance) C4'-P energy: -7.444
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -73.203359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.203359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.203359 (E_RNA)
where:
Base-Base interactions energy: -33.728
where: short stacking energy: -29.847
Base-Backbone interact. energy: -0.465
local terms energy: -39.010633
where:
bonds (distance) C4'-P energy: -7.179
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -8.172
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: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -227.309194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.309194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.309194 (E_RNA)
where:
Base-Base interactions energy: -147.086
where: short stacking energy: -68.981
Base-Backbone interact. energy: -0.009
local terms energy: -80.214466
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -214.979905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.979905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.979905 (E_RNA)
where:
Base-Base interactions energy: -136.367
where: short stacking energy: -68.045
Base-Backbone interact. energy: -0.514
local terms energy: -78.097984
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.788
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: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -209.086805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.086805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.086805 (E_RNA)
where:
Base-Base interactions energy: -137.855
where: short stacking energy: -66.877
Base-Backbone interact. energy: -0.201
local terms energy: -71.031409
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -215.313476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.313476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.313476 (E_RNA)
where:
Base-Base interactions energy: -140.804
where: short stacking energy: -68.766
Base-Backbone interact. energy: -0.013
local terms energy: -74.496188
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.612
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: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -150.570519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.570519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.570519 (E_RNA)
where:
Base-Base interactions energy: -89.288
where: short stacking energy: -48.351
Base-Backbone interact. energy: -0.290
local terms energy: -60.992406
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -11.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -91.643412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.643412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.643412 (E_RNA)
where:
Base-Base interactions energy: -32.685
where: short stacking energy: -27.945
Base-Backbone interact. energy: 2.716
local terms energy: -61.673522
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -9.915
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: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -96.374530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.374530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.374530 (E_RNA)
where:
Base-Base interactions energy: -43.855
where: short stacking energy: -36.025
Base-Backbone interact. energy: 0.276
local terms energy: -52.795275
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -10.691
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -99.298312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.298312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.298312 (E_RNA)
where:
Base-Base interactions energy: -41.799
where: short stacking energy: -41.008
Base-Backbone interact. energy: 0.108
local terms energy: -57.607794
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -88.729850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.729850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.729850 (E_RNA)
where:
Base-Base interactions energy: -38.690
where: short stacking energy: -33.936
Base-Backbone interact. energy: 0.029
local terms energy: -50.069129
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -5.264
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: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -82.605229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.605229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.605229 (E_RNA)
where:
Base-Base interactions energy: -32.705
where: short stacking energy: -32.705
Base-Backbone interact. energy: -0.114
local terms energy: -49.786405
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -225.193665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.193665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.193665 (E_RNA)
where:
Base-Base interactions energy: -150.582
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.163
local terms energy: -74.448152
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -10.121
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: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -224.287482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.287482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.287482 (E_RNA)
where:
Base-Base interactions energy: -145.020
where: short stacking energy: -63.203
Base-Backbone interact. energy: -0.633
local terms energy: -78.634624
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -12.949
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: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -205.792754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.792754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.792754 (E_RNA)
where:
Base-Base interactions energy: -137.620
where: short stacking energy: -65.433
Base-Backbone interact. energy: -0.084
local terms energy: -68.089002
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -7.084
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: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -215.770053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.770053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.770053 (E_RNA)
where:
Base-Base interactions energy: -138.231
where: short stacking energy: -62.461
Base-Backbone interact. energy: -0.576
local terms energy: -76.962688
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -146.269312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.269312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.269312 (E_RNA)
where:
Base-Base interactions energy: -86.666
where: short stacking energy: -40.194
Base-Backbone interact. energy: 0.485
local terms energy: -60.087436
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -123.869849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.869849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.869849 (E_RNA)
where:
Base-Base interactions energy: -55.868
where: short stacking energy: -43.291
Base-Backbone interact. energy: -1.322
local terms energy: -66.680063
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -101.946594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.946594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.946594 (E_RNA)
where:
Base-Base interactions energy: -48.829
where: short stacking energy: -34.334
Base-Backbone interact. energy: -0.036
local terms energy: -53.081111
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -91.107399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.107399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.107399 (E_RNA)
where:
Base-Base interactions energy: -29.148
where: short stacking energy: -29.148
Base-Backbone interact. energy: -0.028
local terms energy: -61.930565
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -9.415
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: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -78.872274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.872274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.872274 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -21.502
Base-Backbone interact. energy: -0.037
local terms energy: -49.073594
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -3.132
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: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -82.443310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.443310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.443310 (E_RNA)
where:
Base-Base interactions energy: -42.699
where: short stacking energy: -22.337
Base-Backbone interact. energy: -0.293
local terms energy: -39.451021
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -2.786
flat angles P-C4'-P energy: -6.902
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: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -228.152492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.152492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.152492 (E_RNA)
where:
Base-Base interactions energy: -149.431
where: short stacking energy: -55.341
Base-Backbone interact. energy: -1.813
local terms energy: -76.908390
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -17.963
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: 386
Temperature: 0.950000
Total energy: -222.049305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.049305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.049305 (E_RNA)
where:
Base-Base interactions energy: -147.179
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.001
local terms energy: -74.869090
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -225.822880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.822880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.822880 (E_RNA)
where:
Base-Base interactions energy: -151.876
where: short stacking energy: -75.762
Base-Backbone interact. energy: -0.056
local terms energy: -73.890627
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -209.780470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.780470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.780470 (E_RNA)
where:
Base-Base interactions energy: -130.762
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.122
local terms energy: -78.895952
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -18.740
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: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -157.131583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.131583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.131583 (E_RNA)
where:
Base-Base interactions energy: -92.740
where: short stacking energy: -50.993
Base-Backbone interact. energy: -0.006
local terms energy: -64.385714
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -114.083174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.083174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.083174 (E_RNA)
where:
Base-Base interactions energy: -60.937
where: short stacking energy: -43.481
Base-Backbone interact. energy: -1.067
local terms energy: -52.078840
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -90.731056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.731056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.731056 (E_RNA)
where:
Base-Base interactions energy: -38.461
where: short stacking energy: -36.466
Base-Backbone interact. energy: 0.150
local terms energy: -52.419991
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -83.096940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.096940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.096940 (E_RNA)
where:
Base-Base interactions energy: -31.516
where: short stacking energy: -26.449
Base-Backbone interact. energy: -0.179
local terms energy: -51.402085
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -95.990068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.990068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.990068 (E_RNA)
where:
Base-Base interactions energy: -40.758
where: short stacking energy: -37.238
Base-Backbone interact. energy: -0.796
local terms energy: -54.436405
where:
bonds (distance) C4'-P energy: -7.280
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -84.836270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.836270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.836270 (E_RNA)
where:
Base-Base interactions energy: -39.442
where: short stacking energy: -39.442
Base-Backbone interact. energy: 1.081
local terms energy: -46.475373
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -226.238504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.238504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.238504 (E_RNA)
where:
Base-Base interactions energy: -145.794
where: short stacking energy: -75.490
Base-Backbone interact. energy: -0.010
local terms energy: -80.434600
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -223.411454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.411454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.411454 (E_RNA)
where:
Base-Base interactions energy: -152.012
where: short stacking energy: -69.217
Base-Backbone interact. energy: 0.139
local terms energy: -71.539172
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -200.881426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.881426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.881426 (E_RNA)
where:
Base-Base interactions energy: -132.516
where: short stacking energy: -58.206
Base-Backbone interact. energy: -0.098
local terms energy: -68.267602
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -208.946612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.946612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.946612 (E_RNA)
where:
Base-Base interactions energy: -135.272
where: short stacking energy: -55.843
Base-Backbone interact. energy: -1.571
local terms energy: -72.103384
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -159.331172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.331172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.331172 (E_RNA)
where:
Base-Base interactions energy: -93.120
where: short stacking energy: -41.193
Base-Backbone interact. energy: -0.147
local terms energy: -66.063730
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -100.149174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.149174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.149174 (E_RNA)
where:
Base-Base interactions energy: -44.346
where: short stacking energy: -42.549
Base-Backbone interact. energy: -0.043
local terms energy: -55.760131
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -114.101434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.101434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.101434 (E_RNA)
where:
Base-Base interactions energy: -52.876
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.111
local terms energy: -61.114262
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -91.809379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.809379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.809379 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -27.548
Base-Backbone interact. energy: 0.817
local terms energy: -53.394255
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -79.041927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.041927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.041927 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -27.999
Base-Backbone interact. energy: 0.137
local terms energy: -50.314949
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -4.392
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -94.106937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.106937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.106937 (E_RNA)
where:
Base-Base interactions energy: -40.827
where: short stacking energy: -40.827
Base-Backbone interact. energy: -0.098
local terms energy: -53.182626
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: 0.448
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -218.257764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.257764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.257764 (E_RNA)
where:
Base-Base interactions energy: -143.960
where: short stacking energy: -71.180
Base-Backbone interact. energy: -0.390
local terms energy: -73.907740
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -216.141373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.141373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.141373 (E_RNA)
where:
Base-Base interactions energy: -142.045
where: short stacking energy: -69.248
Base-Backbone interact. energy: -0.099
local terms energy: -73.998000
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -214.653339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.653339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.653339 (E_RNA)
where:
Base-Base interactions energy: -137.996
where: short stacking energy: -61.887
Base-Backbone interact. energy: -0.913
local terms energy: -75.744112
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -201.829483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.829483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.829483 (E_RNA)
where:
Base-Base interactions energy: -134.773
where: short stacking energy: -48.955
Base-Backbone interact. energy: -0.563
local terms energy: -66.493260
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -176.230094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.230094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.230094 (E_RNA)
where:
Base-Base interactions energy: -107.115
where: short stacking energy: -57.378
Base-Backbone interact. energy: -0.877
local terms energy: -68.237415
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -16.699
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: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -104.091098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.091098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.091098 (E_RNA)
where:
Base-Base interactions energy: -45.268
where: short stacking energy: -45.268
Base-Backbone interact. energy: -0.045
local terms energy: -58.777810
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -87.805113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.805113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.805113 (E_RNA)
where:
Base-Base interactions energy: -36.559
where: short stacking energy: -29.999
Base-Backbone interact. energy: -0.135
local terms energy: -51.111002
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -10.757
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: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -101.670654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.670654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.670654 (E_RNA)
where:
Base-Base interactions energy: -51.598
where: short stacking energy: -19.947
Base-Backbone interact. energy: -0.060
local terms energy: -50.012133
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: 2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -82.596265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.596265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.596265 (E_RNA)
where:
Base-Base interactions energy: -29.357
where: short stacking energy: -29.357
Base-Backbone interact. energy: -0.999
local terms energy: -52.240007
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -72.619729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.619729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.619729 (E_RNA)
where:
Base-Base interactions energy: -24.598
where: short stacking energy: -18.656
Base-Backbone interact. energy: 0.511
local terms energy: -48.532441
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: 0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -223.530402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.530402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.530402 (E_RNA)
where:
Base-Base interactions energy: -155.595
where: short stacking energy: -56.844
Base-Backbone interact. energy: -0.493
local terms energy: -67.443148
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -209.369682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.369682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.369682 (E_RNA)
where:
Base-Base interactions energy: -142.011
where: short stacking energy: -57.258
Base-Backbone interact. energy: -0.120
local terms energy: -67.238150
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -208.621094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.621094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.621094 (E_RNA)
where:
Base-Base interactions energy: -136.301
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.256
local terms energy: -72.064307
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -14.790
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: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -203.384476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.384476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.384476 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -55.240
Base-Backbone interact. energy: -0.830
local terms energy: -60.222965
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -14.452
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: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -172.998458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.998458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.998458 (E_RNA)
where:
Base-Base interactions energy: -101.721
where: short stacking energy: -53.551
Base-Backbone interact. energy: -0.555
local terms energy: -70.722872
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -118.749802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.749802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.749802 (E_RNA)
where:
Base-Base interactions energy: -58.677
where: short stacking energy: -41.318
Base-Backbone interact. energy: -0.135
local terms energy: -59.938122
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -91.941158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.941158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.941158 (E_RNA)
where:
Base-Base interactions energy: -38.742
where: short stacking energy: -38.742
Base-Backbone interact. energy: -0.021
local terms energy: -53.178467
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -6.849
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: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -88.569204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.569204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.569204 (E_RNA)
where:
Base-Base interactions energy: -30.196
where: short stacking energy: -29.504
Base-Backbone interact. energy: -0.017
local terms energy: -58.356204
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -83.542021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.542021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.542021 (E_RNA)
where:
Base-Base interactions energy: -26.957
where: short stacking energy: -27.157
Base-Backbone interact. energy: -0.155
local terms energy: -56.430131
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -5.701
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: 389
Temperature: 1.350000
Total energy: -74.349365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.349365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.349365 (E_RNA)
where:
Base-Base interactions energy: -32.928
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.114
local terms energy: -41.307323
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -215.160954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.160954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.160954 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.087
local terms energy: -74.688522
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -9.520
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: 390
Temperature: 0.950000
Total energy: -225.945741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.945741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.945741 (E_RNA)
where:
Base-Base interactions energy: -152.891
where: short stacking energy: -57.262
Base-Backbone interact. energy: -0.329
local terms energy: -72.725930
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -205.320753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.320753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.320753 (E_RNA)
where:
Base-Base interactions energy: -138.343
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.149
local terms energy: -66.828817
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -214.501441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.501441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.501441 (E_RNA)
where:
Base-Base interactions energy: -135.561
where: short stacking energy: -65.717
Base-Backbone interact. energy: -0.609
local terms energy: -78.331737
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -23.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -168.386724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.386724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.386724 (E_RNA)
where:
Base-Base interactions energy: -104.766
where: short stacking energy: -54.450
Base-Backbone interact. energy: -0.510
local terms energy: -63.110738
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -11.649
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: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -134.826861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.826861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.826861 (E_RNA)
where:
Base-Base interactions energy: -76.657
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.072
local terms energy: -58.097490
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -95.229957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.229957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.229957 (E_RNA)
where:
Base-Base interactions energy: -42.989
where: short stacking energy: -29.796
Base-Backbone interact. energy: 1.588
local terms energy: -53.828626
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -2.853
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -85.032702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.032702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.032702 (E_RNA)
where:
Base-Base interactions energy: -34.765
where: short stacking energy: -30.859
Base-Backbone interact. energy: -0.214
local terms energy: -50.054217
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -0.783
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: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -78.041918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.041918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.041918 (E_RNA)
where:
Base-Base interactions energy: -28.025
where: short stacking energy: -22.308
Base-Backbone interact. energy: -0.283
local terms energy: -49.733757
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -3.582
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: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -82.280996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.280996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.280996 (E_RNA)
where:
Base-Base interactions energy: -29.732
where: short stacking energy: -26.740
Base-Backbone interact. energy: -0.275
local terms energy: -52.273259
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -5.724
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: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -222.839663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.839663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.839663 (E_RNA)
where:
Base-Base interactions energy: -152.670
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.035
local terms energy: -70.134271
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -218.233989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.233989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.233989 (E_RNA)
where:
Base-Base interactions energy: -152.854
where: short stacking energy: -66.412
Base-Backbone interact. energy: -1.220
local terms energy: -64.160367
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -202.540023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.540023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.540023 (E_RNA)
where:
Base-Base interactions energy: -130.840
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.247
local terms energy: -71.453004
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -192.230576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.230576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.230576 (E_RNA)
where:
Base-Base interactions energy: -122.775
where: short stacking energy: -50.730
Base-Backbone interact. energy: -0.054
local terms energy: -69.402100
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -156.560678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.560678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.560678 (E_RNA)
where:
Base-Base interactions energy: -91.804
where: short stacking energy: -46.681
Base-Backbone interact. energy: -0.116
local terms energy: -64.640834
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -8.880
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: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -112.120815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.120815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.120815 (E_RNA)
where:
Base-Base interactions energy: -59.003
where: short stacking energy: -42.714
Base-Backbone interact. energy: -0.136
local terms energy: -52.982274
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -108.042142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.042142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.042142 (E_RNA)
where:
Base-Base interactions energy: -49.624
where: short stacking energy: -35.069
Base-Backbone interact. energy: 1.139
local terms energy: -59.556916
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -12.020
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: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -83.122709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.122709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.122709 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -36.358
Base-Backbone interact. energy: -0.259
local terms energy: -47.405712
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -6.920
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -82.912472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.912472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.912472 (E_RNA)
where:
Base-Base interactions energy: -30.904
where: short stacking energy: -31.274
Base-Backbone interact. energy: 0.033
local terms energy: -52.040837
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -83.390140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.390140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.390140 (E_RNA)
where:
Base-Base interactions energy: -40.463
where: short stacking energy: -41.343
Base-Backbone interact. energy: -0.145
local terms energy: -42.782115
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -222.566018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.566018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.566018 (E_RNA)
where:
Base-Base interactions energy: -150.215
where: short stacking energy: -57.878
Base-Backbone interact. energy: -0.684
local terms energy: -71.667383
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -223.018742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.018742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.018742 (E_RNA)
where:
Base-Base interactions energy: -147.821
where: short stacking energy: -72.692
Base-Backbone interact. energy: -0.478
local terms energy: -74.720059
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.018
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: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -195.981772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.981772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.981772 (E_RNA)
where:
Base-Base interactions energy: -128.075
where: short stacking energy: -52.507
Base-Backbone interact. energy: -0.059
local terms energy: -67.847623
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -199.514909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.514909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.514909 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -50.282
Base-Backbone interact. energy: -0.211
local terms energy: -67.029139
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -13.519
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: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -161.097757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.097757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.097757 (E_RNA)
where:
Base-Base interactions energy: -94.547
where: short stacking energy: -41.624
Base-Backbone interact. energy: -0.154
local terms energy: -66.396427
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -122.871792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.871792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.871792 (E_RNA)
where:
Base-Base interactions energy: -51.517
where: short stacking energy: -43.782
Base-Backbone interact. energy: -1.003
local terms energy: -70.351092
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -89.310716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.310716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.310716 (E_RNA)
where:
Base-Base interactions energy: -33.968
where: short stacking energy: -28.516
Base-Backbone interact. energy: -1.273
local terms energy: -54.070031
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -87.246000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.246000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.246000 (E_RNA)
where:
Base-Base interactions energy: -37.582
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.104
local terms energy: -49.559826
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -6.385
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: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -89.698711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698711 (E_RNA)
where:
Base-Base interactions energy: -31.458
where: short stacking energy: -31.758
Base-Backbone interact. energy: -0.018
local terms energy: -58.223469
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -6.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -70.248316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.248316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.248316 (E_RNA)
where:
Base-Base interactions energy: -24.524
where: short stacking energy: -14.246
Base-Backbone interact. energy: 1.053
local terms energy: -46.777203
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: 3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -216.200778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.200778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.200778 (E_RNA)
where:
Base-Base interactions energy: -153.885
where: short stacking energy: -59.475
Base-Backbone interact. energy: -0.034
local terms energy: -62.282234
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -213.480200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.480200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.480200 (E_RNA)
where:
Base-Base interactions energy: -137.058
where: short stacking energy: -68.731
Base-Backbone interact. energy: -0.039
local terms energy: -76.383277
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -220.217175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.217175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.217175 (E_RNA)
where:
Base-Base interactions energy: -144.870
where: short stacking energy: -69.757
Base-Backbone interact. energy: -0.226
local terms energy: -75.121549
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -204.032025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.032025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.032025 (E_RNA)
where:
Base-Base interactions energy: -128.029
where: short stacking energy: -60.767
Base-Backbone interact. energy: -0.004
local terms energy: -75.999220
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -10.269
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: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -166.293032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.293032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.293032 (E_RNA)
where:
Base-Base interactions energy: -105.005
where: short stacking energy: -57.571
Base-Backbone interact. energy: -0.860
local terms energy: -60.427077
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -99.831945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.831945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.831945 (E_RNA)
where:
Base-Base interactions energy: -50.818
where: short stacking energy: -47.589
Base-Backbone interact. energy: -0.033
local terms energy: -48.980453
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -6.637
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: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -100.426575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.426575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.426575 (E_RNA)
where:
Base-Base interactions energy: -49.229
where: short stacking energy: -37.289
Base-Backbone interact. energy: -0.202
local terms energy: -50.995666
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -89.083879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.083879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.083879 (E_RNA)
where:
Base-Base interactions energy: -28.947
where: short stacking energy: -28.947
Base-Backbone interact. energy: -0.173
local terms energy: -59.963619
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -6.686
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: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -78.619677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.619677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.619677 (E_RNA)
where:
Base-Base interactions energy: -27.329
where: short stacking energy: -18.213
Base-Backbone interact. energy: -0.871
local terms energy: -50.419354
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -104.277788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.277788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.277788 (E_RNA)
where:
Base-Base interactions energy: -52.705
where: short stacking energy: -32.914
Base-Backbone interact. energy: -0.016
local terms energy: -51.556856
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -222.344644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.344644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.344644 (E_RNA)
where:
Base-Base interactions energy: -147.695
where: short stacking energy: -50.289
Base-Backbone interact. energy: -0.078
local terms energy: -74.571156
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -13.287
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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -221.832587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.832587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.832587 (E_RNA)
where:
Base-Base interactions energy: -143.143
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.605
local terms energy: -78.084273
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -23.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -206.446721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.446721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.446721 (E_RNA)
where:
Base-Base interactions energy: -135.959
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.047
local terms energy: -70.440509
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -214.376785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.376785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.376785 (E_RNA)
where:
Base-Base interactions energy: -143.095
where: short stacking energy: -57.148
Base-Backbone interact. energy: 0.023
local terms energy: -71.303941
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -96.207953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.207953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.207953 (E_RNA)
where:
Base-Base interactions energy: -39.009
where: short stacking energy: -39.009
Base-Backbone interact. energy: -0.016
local terms energy: -57.183234
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -6.564
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: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -152.149729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.149729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.149729 (E_RNA)
where:
Base-Base interactions energy: -93.290
where: short stacking energy: -47.148
Base-Backbone interact. energy: -0.358
local terms energy: -58.501430
where:
bonds (distance) C4'-P energy: -8.423
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -7.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -95.034904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.034904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.034904 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -30.562
Base-Backbone interact. energy: -0.112
local terms energy: -56.074183
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.857
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: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -77.280539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.280539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.280539 (E_RNA)
where:
Base-Base interactions energy: -32.044
where: short stacking energy: -29.365
Base-Backbone interact. energy: 1.580
local terms energy: -46.816416
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: 0.815
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: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -134.589697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.589697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.589697 (E_RNA)
where:
Base-Base interactions energy: -79.532
where: short stacking energy: -39.211
Base-Backbone interact. energy: 1.895
local terms energy: -56.953258
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -77.207807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.207807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.207807 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -25.138
Base-Backbone interact. energy: 0.417
local terms energy: -47.278953
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: 1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -221.132182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.132182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.132182 (E_RNA)
where:
Base-Base interactions energy: -157.416
where: short stacking energy: -57.188
Base-Backbone interact. energy: -0.180
local terms energy: -63.535953
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -219.345863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.345863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.345863 (E_RNA)
where:
Base-Base interactions energy: -138.120
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.746
local terms energy: -80.480689
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -207.315843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.315843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.315843 (E_RNA)
where:
Base-Base interactions energy: -135.199
where: short stacking energy: -56.631
Base-Backbone interact. energy: -0.686
local terms energy: -71.430390
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -14.777
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: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -206.836252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.836252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.836252 (E_RNA)
where:
Base-Base interactions energy: -139.418
where: short stacking energy: -59.056
Base-Backbone interact. energy: -0.017
local terms energy: -67.401217
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -104.788960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.788960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.788960 (E_RNA)
where:
Base-Base interactions energy: -55.501
where: short stacking energy: -33.158
Base-Backbone interact. energy: 0.201
local terms energy: -49.489177
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: 0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -147.534396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.534396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.534396 (E_RNA)
where:
Base-Base interactions energy: -82.792
where: short stacking energy: -35.796
Base-Backbone interact. energy: 0.185
local terms energy: -64.926494
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -97.967549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.967549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.967549 (E_RNA)
where:
Base-Base interactions energy: -38.108
where: short stacking energy: -29.657
Base-Backbone interact. energy: 2.093
local terms energy: -61.952464
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -13.897
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: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -141.218214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.218214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.218214 (E_RNA)
where:
Base-Base interactions energy: -83.120
where: short stacking energy: -45.866
Base-Backbone interact. energy: -0.436
local terms energy: -57.662625
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -80.564584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.564584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.564584 (E_RNA)
where:
Base-Base interactions energy: -29.336
where: short stacking energy: -18.582
Base-Backbone interact. energy: -0.304
local terms energy: -50.924552
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -81.819472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.819472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.819472 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -23.449
Base-Backbone interact. energy: -0.142
local terms energy: -53.150013
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -222.978850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.978850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.978850 (E_RNA)
where:
Base-Base interactions energy: -146.070
where: short stacking energy: -63.978
Base-Backbone interact. energy: -1.024
local terms energy: -75.884774
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -18.630
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: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -207.718988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.718988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.718988 (E_RNA)
where:
Base-Base interactions energy: -150.633
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.140
local terms energy: -56.945922
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -216.259924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.259924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.259924 (E_RNA)
where:
Base-Base interactions energy: -140.868
where: short stacking energy: -72.856
Base-Backbone interact. energy: -0.069
local terms energy: -75.323348
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -197.903163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.903163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.903163 (E_RNA)
where:
Base-Base interactions energy: -122.325
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.002
local terms energy: -75.575171
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -165.572952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.572952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.572952 (E_RNA)
where:
Base-Base interactions energy: -103.021
where: short stacking energy: -50.735
Base-Backbone interact. energy: -0.234
local terms energy: -62.318159
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -102.550995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.550995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.550995 (E_RNA)
where:
Base-Base interactions energy: -36.676
where: short stacking energy: -32.666
Base-Backbone interact. energy: -0.005
local terms energy: -65.869556
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -138.928970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.928970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.928970 (E_RNA)
where:
Base-Base interactions energy: -80.320
where: short stacking energy: -39.821
Base-Backbone interact. energy: -0.422
local terms energy: -58.187857
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -83.026488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.026488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.026488 (E_RNA)
where:
Base-Base interactions energy: -29.625
where: short stacking energy: -28.249
Base-Backbone interact. energy: -0.134
local terms energy: -53.267277
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -82.536836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.536836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.536836 (E_RNA)
where:
Base-Base interactions energy: -34.951
where: short stacking energy: -32.169
Base-Backbone interact. energy: -0.006
local terms energy: -47.578933
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -85.462394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.462394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.462394 (E_RNA)
where:
Base-Base interactions energy: -35.236
where: short stacking energy: -24.187
Base-Backbone interact. energy: -0.032
local terms energy: -50.194505
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -222.152754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.152754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.152754 (E_RNA)
where:
Base-Base interactions energy: -141.841
where: short stacking energy: -57.927
Base-Backbone interact. energy: -0.324
local terms energy: -79.986999
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -219.142328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.142328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.142328 (E_RNA)
where:
Base-Base interactions energy: -140.520
where: short stacking energy: -65.873
Base-Backbone interact. energy: -1.287
local terms energy: -77.334940
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -18.806
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: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -212.284008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.284008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.284008 (E_RNA)
where:
Base-Base interactions energy: -144.283
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.002
local terms energy: -67.998775
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -147.169714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.169714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.169714 (E_RNA)
where:
Base-Base interactions energy: -89.308
where: short stacking energy: -34.932
Base-Backbone interact. energy: -1.266
local terms energy: -56.596063
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -6.273
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: 397
Temperature: 1.100000
Total energy: -190.742255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.742255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.742255 (E_RNA)
where:
Base-Base interactions energy: -125.696
where: short stacking energy: -59.121
Base-Backbone interact. energy: -0.021
local terms energy: -65.025285
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -179.922545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.922545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.922545 (E_RNA)
where:
Base-Base interactions energy: -108.696
where: short stacking energy: -64.312
Base-Backbone interact. energy: -0.001
local terms energy: -71.225175
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -92.648544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.648544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.648544 (E_RNA)
where:
Base-Base interactions energy: -40.773
where: short stacking energy: -35.564
Base-Backbone interact. energy: -1.146
local terms energy: -50.728728
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -83.579306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579306 (E_RNA)
where:
Base-Base interactions energy: -32.868
where: short stacking energy: -31.247
Base-Backbone interact. energy: 0.550
local terms energy: -51.261428
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.320
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: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -80.415038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.415038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.415038 (E_RNA)
where:
Base-Base interactions energy: -40.541
where: short stacking energy: -15.313
Base-Backbone interact. energy: -0.136
local terms energy: -39.737894
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: 1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -81.666239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.666239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.666239 (E_RNA)
where:
Base-Base interactions energy: -26.996
where: short stacking energy: -26.996
Base-Backbone interact. energy: -0.103
local terms energy: -54.567846
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -7.789
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: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -223.503305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.503305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.503305 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -73.317
Base-Backbone interact. energy: -0.221
local terms energy: -78.030767
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -6.655
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: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -218.364617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.364617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.364617 (E_RNA)
where:
Base-Base interactions energy: -138.449
where: short stacking energy: -68.604
Base-Backbone interact. energy: -1.344
local terms energy: -78.571110
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -14.249
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: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -206.769366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.769366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.769366 (E_RNA)
where:
Base-Base interactions energy: -135.488
where: short stacking energy: -57.882
Base-Backbone interact. energy: -1.224
local terms energy: -70.057151
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -169.424928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.424928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.424928 (E_RNA)
where:
Base-Base interactions energy: -104.670
where: short stacking energy: -56.759
Base-Backbone interact. energy: -0.284
local terms energy: -64.471100
where:
bonds (distance) C4'-P energy: -7.914
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -195.858038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.858038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.858038 (E_RNA)
where:
Base-Base interactions energy: -124.701
where: short stacking energy: -62.138
Base-Backbone interact. energy: -0.042
local terms energy: -71.114911
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -165.583462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.583462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.583462 (E_RNA)
where:
Base-Base interactions energy: -102.389
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.050
local terms energy: -63.144474
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -86.356648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.356648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.356648 (E_RNA)
where:
Base-Base interactions energy: -36.319
where: short stacking energy: -36.319
Base-Backbone interact. energy: -0.133
local terms energy: -49.904649
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -94.822027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.822027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.822027 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -34.290
Base-Backbone interact. energy: 0.076
local terms energy: -55.927310
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -79.326520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.326520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.326520 (E_RNA)
where:
Base-Base interactions energy: -33.263
where: short stacking energy: -14.145
Base-Backbone interact. energy: -0.318
local terms energy: -45.746040
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: 2.976
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: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -68.354719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.354719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.354719 (E_RNA)
where:
Base-Base interactions energy: -22.750
where: short stacking energy: -18.497
Base-Backbone interact. energy: -0.101
local terms energy: -45.503335
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: 3.007
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: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -225.347588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.347588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.347588 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -67.486
Base-Backbone interact. energy: -2.228
local terms energy: -80.292474
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -222.699005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.699005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.699005 (E_RNA)
where:
Base-Base interactions energy: -146.495
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.682
local terms energy: -75.522074
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -216.181777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.181777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.181777 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -61.499
Base-Backbone interact. energy: -0.083
local terms energy: -69.446043
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -211.717381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.717381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.717381 (E_RNA)
where:
Base-Base interactions energy: -133.748
where: short stacking energy: -65.713
Base-Backbone interact. energy: -0.027
local terms energy: -77.942451
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -22.136
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: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -154.120425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.120425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.120425 (E_RNA)
where:
Base-Base interactions energy: -96.993
where: short stacking energy: -53.295
Base-Backbone interact. energy: -0.117
local terms energy: -57.009900
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -8.347
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: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -152.192270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.192270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.192270 (E_RNA)
where:
Base-Base interactions energy: -85.679
where: short stacking energy: -37.493
Base-Backbone interact. energy: -1.447
local terms energy: -65.066215
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -100.867615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.867615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.867615 (E_RNA)
where:
Base-Base interactions energy: -47.133
where: short stacking energy: -29.367
Base-Backbone interact. energy: -0.115
local terms energy: -53.619628
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -88.285181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.285181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.285181 (E_RNA)
where:
Base-Base interactions energy: -38.479
where: short stacking energy: -33.463
Base-Backbone interact. energy: -0.098
local terms energy: -49.707849
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -5.069
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -11.278
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: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -86.201043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.201043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.201043 (E_RNA)
where:
Base-Base interactions energy: -31.760
where: short stacking energy: -27.266
Base-Backbone interact. energy: -0.099
local terms energy: -54.341888
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -76.776953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.776953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.776953 (E_RNA)
where:
Base-Base interactions energy: -28.314
where: short stacking energy: -14.323
Base-Backbone interact. energy: -0.622
local terms energy: -47.840746
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: 1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -220.356670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.356670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.356670 (E_RNA)
where:
Base-Base interactions energy: -147.742
where: short stacking energy: -58.196
Base-Backbone interact. energy: -0.108
local terms energy: -72.506546
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -222.227804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.227804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.227804 (E_RNA)
where:
Base-Base interactions energy: -146.995
where: short stacking energy: -76.030
Base-Backbone interact. energy: -0.025
local terms energy: -75.207775
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -18.255
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: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -215.841000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.841000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.841000 (E_RNA)
where:
Base-Base interactions energy: -136.271
where: short stacking energy: -61.750
Base-Backbone interact. energy: 0.101
local terms energy: -79.670597
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -19.976
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: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -211.652143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.652143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.652143 (E_RNA)
where:
Base-Base interactions energy: -136.781
where: short stacking energy: -61.421
Base-Backbone interact. energy: -0.001
local terms energy: -74.870340
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -5.777
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: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -169.373348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.373348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.373348 (E_RNA)
where:
Base-Base interactions energy: -106.946
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.005
local terms energy: -62.422480
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -135.377128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.377128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.377128 (E_RNA)
where:
Base-Base interactions energy: -79.993
where: short stacking energy: -35.173
Base-Backbone interact. energy: -0.246
local terms energy: -55.138341
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -8.199
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: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -88.546264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.546264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.546264 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -23.742
Base-Backbone interact. energy: -0.812
local terms energy: -55.458588
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -102.260044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.260044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.260044 (E_RNA)
where:
Base-Base interactions energy: -42.145
where: short stacking energy: -28.659
Base-Backbone interact. energy: -0.105
local terms energy: -60.010779
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -87.807839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.807839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.807839 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -14.421
Base-Backbone interact. energy: -0.192
local terms energy: -52.112192
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -9.421
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: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -81.545477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.545477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.545477 (E_RNA)
where:
Base-Base interactions energy: -29.538
where: short stacking energy: -29.160
Base-Backbone interact. energy: 0.069
local terms energy: -52.077078
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -9.952
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: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -223.825988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.825988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.825988 (E_RNA)
where:
Base-Base interactions energy: -150.889
where: short stacking energy: -47.663
Base-Backbone interact. energy: -0.661
local terms energy: -72.275265
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -222.905486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.905486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.905486 (E_RNA)
where:
Base-Base interactions energy: -142.174
where: short stacking energy: -71.254
Base-Backbone interact. energy: -0.057
local terms energy: -80.674340
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -222.502115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.502115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.502115 (E_RNA)
where:
Base-Base interactions energy: -149.430
where: short stacking energy: -67.461
Base-Backbone interact. energy: 0.189
local terms energy: -73.260836
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -15.317
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: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -180.915735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.915735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.915735 (E_RNA)
where:
Base-Base interactions energy: -108.022
where: short stacking energy: -60.970
Base-Backbone interact. energy: -0.071
local terms energy: -72.822457
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -203.596645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.596645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.596645 (E_RNA)
where:
Base-Base interactions energy: -132.879
where: short stacking energy: -65.596
Base-Backbone interact. energy: -0.027
local terms energy: -70.690415
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -19.155
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: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -140.956867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.956867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.956867 (E_RNA)
where:
Base-Base interactions energy: -82.681
where: short stacking energy: -36.184
Base-Backbone interact. energy: -0.047
local terms energy: -58.228806
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -10.864
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: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -92.500285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.500285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.500285 (E_RNA)
where:
Base-Base interactions energy: -38.674
where: short stacking energy: -28.733
Base-Backbone interact. energy: -0.210
local terms energy: -53.616263
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -94.049872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.049872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.049872 (E_RNA)
where:
Base-Base interactions energy: -41.671
where: short stacking energy: -24.680
Base-Backbone interact. energy: -0.115
local terms energy: -52.264361
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -103.025026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.025026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.025026 (E_RNA)
where:
Base-Base interactions energy: -44.724
where: short stacking energy: -44.724
Base-Backbone interact. energy: -0.097
local terms energy: -58.204044
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -82.361318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.361318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.361318 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -29.535
Base-Backbone interact. energy: -0.056
local terms energy: -52.196424
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -9.110
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: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -228.543324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.543324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.543324 (E_RNA)
where:
Base-Base interactions energy: -149.651
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.169
local terms energy: -78.722642
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.120
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: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -217.800006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.800006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.800006 (E_RNA)
where:
Base-Base interactions energy: -149.039
where: short stacking energy: -48.372
Base-Backbone interact. energy: -0.399
local terms energy: -68.361999
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -213.044415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.044415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.044415 (E_RNA)
where:
Base-Base interactions energy: -143.036
where: short stacking energy: -55.965
Base-Backbone interact. energy: -1.354
local terms energy: -68.655190
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -184.295593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.295593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.295593 (E_RNA)
where:
Base-Base interactions energy: -117.214
where: short stacking energy: -66.477
Base-Backbone interact. energy: -0.547
local terms energy: -66.533999
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -10.692
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: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -186.142469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.142469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.142469 (E_RNA)
where:
Base-Base interactions energy: -127.605
where: short stacking energy: -48.148
Base-Backbone interact. energy: -0.045
local terms energy: -58.492309
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -165.524041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.524041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.524041 (E_RNA)
where:
Base-Base interactions energy: -104.281
where: short stacking energy: -53.841
Base-Backbone interact. energy: -1.406
local terms energy: -59.837119
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -104.065443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.065443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.065443 (E_RNA)
where:
Base-Base interactions energy: -49.149
where: short stacking energy: -38.712
Base-Backbone interact. energy: 0.657
local terms energy: -55.574116
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -81.681626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.681626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.681626 (E_RNA)
where:
Base-Base interactions energy: -20.420
where: short stacking energy: -20.420
Base-Backbone interact. energy: -0.161
local terms energy: -61.099920
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -78.227870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.227870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.227870 (E_RNA)
where:
Base-Base interactions energy: -30.058
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.204
local terms energy: -47.965986
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -85.162783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.162783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.162783 (E_RNA)
where:
Base-Base interactions energy: -31.900
where: short stacking energy: -31.900
Base-Backbone interact. energy: -0.070
local terms energy: -53.192801
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -8.358
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: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -226.130052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.130052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.130052 (E_RNA)
where:
Base-Base interactions energy: -148.754
where: short stacking energy: -63.349
Base-Backbone interact. energy: -1.133
local terms energy: -76.242216
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -19.998
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: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -213.187221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.187221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.187221 (E_RNA)
where:
Base-Base interactions energy: -141.196
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.477
local terms energy: -71.514251
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -209.692312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.692312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.692312 (E_RNA)
where:
Base-Base interactions energy: -145.159
where: short stacking energy: -63.105
Base-Backbone interact. energy: -1.112
local terms energy: -63.421599
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -180.146795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.146795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.146795 (E_RNA)
where:
Base-Base interactions energy: -119.777
where: short stacking energy: -46.272
Base-Backbone interact. energy: -0.366
local terms energy: -60.003617
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -8.777
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: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -162.313247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.313247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.313247 (E_RNA)
where:
Base-Base interactions energy: -97.299
where: short stacking energy: -51.222
Base-Backbone interact. energy: -1.455
local terms energy: -63.559795
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -171.392136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.392136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.392136 (E_RNA)
where:
Base-Base interactions energy: -108.263
where: short stacking energy: -50.426
Base-Backbone interact. energy: -0.935
local terms energy: -62.193937
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -119.934048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.934048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.934048 (E_RNA)
where:
Base-Base interactions energy: -60.893
where: short stacking energy: -27.548
Base-Backbone interact. energy: -0.316
local terms energy: -58.725019
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -85.006812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.006812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.006812 (E_RNA)
where:
Base-Base interactions energy: -32.786
where: short stacking energy: -25.473
Base-Backbone interact. energy: -0.247
local terms energy: -51.973232
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -5.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -75.182360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.182360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.182360 (E_RNA)
where:
Base-Base interactions energy: -31.374
where: short stacking energy: -19.243
Base-Backbone interact. energy: 0.100
local terms energy: -43.908130
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -81.179541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.179541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.179541 (E_RNA)
where:
Base-Base interactions energy: -33.968
where: short stacking energy: -32.426
Base-Backbone interact. energy: -0.254
local terms energy: -46.958318
where:
bonds (distance) C4'-P energy: -8.125
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -217.513993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.513993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.513993 (E_RNA)
where:
Base-Base interactions energy: -146.229
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.079
local terms energy: -71.205464
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -6.632
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: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -215.966395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.966395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.966395 (E_RNA)
where:
Base-Base interactions energy: -141.375
where: short stacking energy: -54.900
Base-Backbone interact. energy: -0.121
local terms energy: -74.470134
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -211.679662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.679662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.679662 (E_RNA)
where:
Base-Base interactions energy: -140.274
where: short stacking energy: -53.263
Base-Backbone interact. energy: -1.640
local terms energy: -69.765211
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -184.940321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.940321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.940321 (E_RNA)
where:
Base-Base interactions energy: -118.040
where: short stacking energy: -55.080
Base-Backbone interact. energy: -0.183
local terms energy: -66.716652
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -13.201
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: 404
Temperature: 1.100000
Total energy: -181.493554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.493554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.493554 (E_RNA)
where:
Base-Base interactions energy: -113.712
where: short stacking energy: -63.991
Base-Backbone interact. energy: -0.006
local terms energy: -67.776459
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -155.557510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.557510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.557510 (E_RNA)
where:
Base-Base interactions energy: -84.863
where: short stacking energy: -43.700
Base-Backbone interact. energy: -0.011
local terms energy: -70.683253
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -11.513
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: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -125.530483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.530483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.530483 (E_RNA)
where:
Base-Base interactions energy: -67.052
where: short stacking energy: -38.485
Base-Backbone interact. energy: -0.074
local terms energy: -58.405198
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -92.545567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.545567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.545567 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -34.657
Base-Backbone interact. energy: -0.320
local terms energy: -54.174443
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -91.964093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.964093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.964093 (E_RNA)
where:
Base-Base interactions energy: -31.317
where: short stacking energy: -29.843
Base-Backbone interact. energy: -1.472
local terms energy: -59.174759
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -82.260890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.260890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.260890 (E_RNA)
where:
Base-Base interactions energy: -36.835
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.674
local terms energy: -44.751802
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: 2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -219.990247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.990247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.990247 (E_RNA)
where:
Base-Base interactions energy: -148.473
where: short stacking energy: -60.746
Base-Backbone interact. energy: -1.284
local terms energy: -70.232475
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -222.412960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.412960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.412960 (E_RNA)
where:
Base-Base interactions energy: -145.649
where: short stacking energy: -65.221
Base-Backbone interact. energy: -0.002
local terms energy: -76.762261
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -10.822
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: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -220.229488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.229488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.229488 (E_RNA)
where:
Base-Base interactions energy: -144.552
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.014
local terms energy: -75.663490
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -176.061061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.061061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.061061 (E_RNA)
where:
Base-Base interactions energy: -104.695
where: short stacking energy: -53.170
Base-Backbone interact. energy: -0.013
local terms energy: -71.352836
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -13.566
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: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -195.411360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.411360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.411360 (E_RNA)
where:
Base-Base interactions energy: -119.855
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.126
local terms energy: -75.430982
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -14.193
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: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -138.420319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.420319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.420319 (E_RNA)
where:
Base-Base interactions energy: -83.850
where: short stacking energy: -40.286
Base-Backbone interact. energy: -0.247
local terms energy: -54.322639
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -148.839377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.839377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.839377 (E_RNA)
where:
Base-Base interactions energy: -88.448
where: short stacking energy: -45.301
Base-Backbone interact. energy: -0.060
local terms energy: -60.331682
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -11.088
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: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -98.793534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.793534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.793534 (E_RNA)
where:
Base-Base interactions energy: -46.800
where: short stacking energy: -33.003
Base-Backbone interact. energy: -0.504
local terms energy: -51.489338
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -5.024
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: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -78.518250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.518250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.518250 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -23.975
Base-Backbone interact. energy: -0.085
local terms energy: -47.523781
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -83.044972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.044972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.044972 (E_RNA)
where:
Base-Base interactions energy: -36.945
where: short stacking energy: -32.944
Base-Backbone interact. energy: -1.013
local terms energy: -45.087178
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -9.211
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -218.990306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.990306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.990306 (E_RNA)
where:
Base-Base interactions energy: -144.712
where: short stacking energy: -74.922
Base-Backbone interact. energy: -0.028
local terms energy: -74.250724
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -10.504
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: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -220.668136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.668136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.668136 (E_RNA)
where:
Base-Base interactions energy: -152.214
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.548
local terms energy: -67.906323
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -210.658755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.658755 (E_RNA)
where:
Base-Base interactions energy: -141.596
where: short stacking energy: -56.065
Base-Backbone interact. energy: -0.293
local terms energy: -68.770039
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -9.398
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: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -170.380508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.380508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.380508 (E_RNA)
where:
Base-Base interactions energy: -104.270
where: short stacking energy: -55.779
Base-Backbone interact. energy: -0.709
local terms energy: -65.401951
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -201.658471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.658471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.658471 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -57.277
Base-Backbone interact. energy: -0.070
local terms energy: -70.430851
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -151.957778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.957778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.957778 (E_RNA)
where:
Base-Base interactions energy: -89.785
where: short stacking energy: -52.667
Base-Backbone interact. energy: -0.154
local terms energy: -62.018887
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -147.517596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.517596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.517596 (E_RNA)
where:
Base-Base interactions energy: -77.991
where: short stacking energy: -43.701
Base-Backbone interact. energy: -0.065
local terms energy: -69.461249
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -12.077
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: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -91.919891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.919891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.919891 (E_RNA)
where:
Base-Base interactions energy: -34.524
where: short stacking energy: -29.887
Base-Backbone interact. energy: 0.080
local terms energy: -57.476061
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -94.304897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.304897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.304897 (E_RNA)
where:
Base-Base interactions energy: -41.495
where: short stacking energy: -39.892
Base-Backbone interact. energy: -0.028
local terms energy: -52.781857
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -10.281
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: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -80.893489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.893489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.893489 (E_RNA)
where:
Base-Base interactions energy: -25.390
where: short stacking energy: -25.390
Base-Backbone interact. energy: -0.199
local terms energy: -55.304715
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -221.710349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.710349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.710349 (E_RNA)
where:
Base-Base interactions energy: -142.157
where: short stacking energy: -69.876
Base-Backbone interact. energy: -0.971
local terms energy: -78.582339
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -21.038
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: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -218.507990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.507990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.507990 (E_RNA)
where:
Base-Base interactions energy: -152.747
where: short stacking energy: -57.753
Base-Backbone interact. energy: -0.651
local terms energy: -65.110124
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -8.771
flat angles P-C4'-P energy: -12.349
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: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -211.573960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.573960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.573960 (E_RNA)
where:
Base-Base interactions energy: -140.884
where: short stacking energy: -53.030
Base-Backbone interact. energy: -0.790
local terms energy: -69.899639
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -14.348
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: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -187.658476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.658476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.658476 (E_RNA)
where:
Base-Base interactions energy: -119.565
where: short stacking energy: -55.544
Base-Backbone interact. energy: -0.254
local terms energy: -67.839931
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -161.736070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.736070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.736070 (E_RNA)
where:
Base-Base interactions energy: -101.811
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.267
local terms energy: -59.658802
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -10.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -146.548830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.548830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.548830 (E_RNA)
where:
Base-Base interactions energy: -86.807
where: short stacking energy: -45.421
Base-Backbone interact. energy: -0.342
local terms energy: -59.399005
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -129.955678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.955678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.955678 (E_RNA)
where:
Base-Base interactions energy: -72.085
where: short stacking energy: -41.429
Base-Backbone interact. energy: -1.003
local terms energy: -56.867351
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -8.110
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: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -84.275971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.275971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.275971 (E_RNA)
where:
Base-Base interactions energy: -26.839
where: short stacking energy: -24.517
Base-Backbone interact. energy: 0.640
local terms energy: -58.076970
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -87.924356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.924356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.924356 (E_RNA)
where:
Base-Base interactions energy: -38.430
where: short stacking energy: -25.262
Base-Backbone interact. energy: -0.069
local terms energy: -49.425943
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -80.184857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.184857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.184857 (E_RNA)
where:
Base-Base interactions energy: -33.397
where: short stacking energy: -33.397
Base-Backbone interact. energy: 0.229
local terms energy: -47.016627
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -213.060076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.060076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.060076 (E_RNA)
where:
Base-Base interactions energy: -141.361
where: short stacking energy: -53.215
Base-Backbone interact. energy: -0.074
local terms energy: -71.625626
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -222.294200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.294200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.294200 (E_RNA)
where:
Base-Base interactions energy: -145.281
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.007
local terms energy: -77.006057
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -198.324207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.324207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.324207 (E_RNA)
where:
Base-Base interactions energy: -129.667
where: short stacking energy: -54.727
Base-Backbone interact. energy: -0.076
local terms energy: -68.580451
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -211.036326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.036326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.036326 (E_RNA)
where:
Base-Base interactions energy: -141.114
where: short stacking energy: -54.665
Base-Backbone interact. energy: -0.165
local terms energy: -69.757386
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -8.437
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: 408
Temperature: 1.100000
Total energy: -156.317693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.317693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.317693 (E_RNA)
where:
Base-Base interactions energy: -88.973
where: short stacking energy: -46.198
Base-Backbone interact. energy: -0.244
local terms energy: -67.101141
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -11.426
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: 408
Temperature: 1.150000
Total energy: -146.504274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.504274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.504274 (E_RNA)
where:
Base-Base interactions energy: -87.180
where: short stacking energy: -48.376
Base-Backbone interact. energy: -0.113
local terms energy: -59.211256
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -9.187
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: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -140.371829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.371829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.371829 (E_RNA)
where:
Base-Base interactions energy: -87.469
where: short stacking energy: -41.673
Base-Backbone interact. energy: -0.553
local terms energy: -52.349734
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: 0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -87.813965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.813965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.813965 (E_RNA)
where:
Base-Base interactions energy: -45.825
where: short stacking energy: -44.186
Base-Backbone interact. energy: -0.112
local terms energy: -41.877288
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -3.356
tors. eta vs tors. theta energy: -5.512
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: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -85.738665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.738665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.738665 (E_RNA)
where:
Base-Base interactions energy: -31.822
where: short stacking energy: -31.822
Base-Backbone interact. energy: -0.004
local terms energy: -53.912659
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -5.805
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: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -82.966058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.966058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.966058 (E_RNA)
where:
Base-Base interactions energy: -34.330
where: short stacking energy: -30.373
Base-Backbone interact. energy: -1.389
local terms energy: -47.246554
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -223.292591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.292591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.292591 (E_RNA)
where:
Base-Base interactions energy: -152.926
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.097
local terms energy: -70.270278
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -203.738945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.738945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.738945 (E_RNA)
where:
Base-Base interactions energy: -133.427
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.012
local terms energy: -70.300136
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -225.772752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.772752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.772752 (E_RNA)
where:
Base-Base interactions energy: -144.553
where: short stacking energy: -70.275
Base-Backbone interact. energy: -1.157
local terms energy: -80.062595
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -200.533199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.533199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.533199 (E_RNA)
where:
Base-Base interactions energy: -130.932
where: short stacking energy: -59.636
Base-Backbone interact. energy: -0.262
local terms energy: -69.339223
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -15.909
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: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -151.244406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.244406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.244406 (E_RNA)
where:
Base-Base interactions energy: -92.812
where: short stacking energy: -48.536
Base-Backbone interact. energy: -0.557
local terms energy: -57.875533
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -163.548798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.548798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.548798 (E_RNA)
where:
Base-Base interactions energy: -100.563
where: short stacking energy: -60.780
Base-Backbone interact. energy: -0.027
local terms energy: -62.958790
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -124.422860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.422860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.422860 (E_RNA)
where:
Base-Base interactions energy: -71.289
where: short stacking energy: -33.057
Base-Backbone interact. energy: -0.043
local terms energy: -53.091157
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -6.150
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: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -96.448064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.448064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.448064 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -35.110
Base-Backbone interact. energy: -0.019
local terms energy: -61.054882
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -81.525518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.525518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.525518 (E_RNA)
where:
Base-Base interactions energy: -29.363
where: short stacking energy: -29.363
Base-Backbone interact. energy: -0.150
local terms energy: -52.012045
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -85.608445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.608445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.608445 (E_RNA)
where:
Base-Base interactions energy: -34.292
where: short stacking energy: -34.292
Base-Backbone interact. energy: -0.023
local terms energy: -51.293441
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -218.113776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.113776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.113776 (E_RNA)
where:
Base-Base interactions energy: -151.953
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.250
local terms energy: -65.910500
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -206.704572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.704572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.704572 (E_RNA)
where:
Base-Base interactions energy: -128.524
where: short stacking energy: -60.095
Base-Backbone interact. energy: -0.167
local terms energy: -78.013500
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -19.375
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: 410
Temperature: 1.000000
Total energy: -206.535212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.535212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.535212 (E_RNA)
where:
Base-Base interactions energy: -132.893
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.299
local terms energy: -73.343084
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -20.797
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: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -209.220340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.220340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.220340 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -63.646
Base-Backbone interact. energy: -0.686
local terms energy: -76.584464
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -158.241796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.241796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.241796 (E_RNA)
where:
Base-Base interactions energy: -97.313
where: short stacking energy: -49.517
Base-Backbone interact. energy: -0.489
local terms energy: -60.439830
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -150.330469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.330469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.330469 (E_RNA)
where:
Base-Base interactions energy: -88.623
where: short stacking energy: -50.879
Base-Backbone interact. energy: -0.037
local terms energy: -61.670588
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -12.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -107.985553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.985553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.985553 (E_RNA)
where:
Base-Base interactions energy: -44.624
where: short stacking energy: -42.055
Base-Backbone interact. energy: -2.118
local terms energy: -61.243969
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -118.427079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.427079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.427079 (E_RNA)
where:
Base-Base interactions energy: -63.018
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.519
local terms energy: -54.890318
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -1.973
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: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -79.322443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.322443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.322443 (E_RNA)
where:
Base-Base interactions energy: -32.237
where: short stacking energy: -32.237
Base-Backbone interact. energy: -0.049
local terms energy: -47.036865
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -7.845
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -80.831336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.831336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.831336 (E_RNA)
where:
Base-Base interactions energy: -28.179
where: short stacking energy: -28.179
Base-Backbone interact. energy: -0.497
local terms energy: -52.156087
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -218.343538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.343538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.343538 (E_RNA)
where:
Base-Base interactions energy: -147.053
where: short stacking energy: -55.408
Base-Backbone interact. energy: -0.033
local terms energy: -71.257663
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -212.742354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.742354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.742354 (E_RNA)
where:
Base-Base interactions energy: -142.005
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.105
local terms energy: -70.631619
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -204.946031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.946031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.946031 (E_RNA)
where:
Base-Base interactions energy: -135.079
where: short stacking energy: -63.792
Base-Backbone interact. energy: -0.292
local terms energy: -69.574402
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -209.546102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.546102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.546102 (E_RNA)
where:
Base-Base interactions energy: -146.599
where: short stacking energy: -68.639
Base-Backbone interact. energy: -0.003
local terms energy: -62.943621
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -6.909
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -18.244
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: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -168.906426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.906426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.906426 (E_RNA)
where:
Base-Base interactions energy: -109.369
where: short stacking energy: -44.736
Base-Backbone interact. energy: -0.865
local terms energy: -58.672159
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -110.813506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.813506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.813506 (E_RNA)
where:
Base-Base interactions energy: -54.059
where: short stacking energy: -38.040
Base-Backbone interact. energy: 1.829
local terms energy: -58.584274
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -144.101996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.101996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.101996 (E_RNA)
where:
Base-Base interactions energy: -89.342
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.444
local terms energy: -54.315212
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -13.256
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: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -85.351954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.351954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.351954 (E_RNA)
where:
Base-Base interactions energy: -33.537
where: short stacking energy: -33.243
Base-Backbone interact. energy: -0.060
local terms energy: -51.754980
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -95.007925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.007925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.007925 (E_RNA)
where:
Base-Base interactions energy: -42.426
where: short stacking energy: -19.824
Base-Backbone interact. energy: 0.213
local terms energy: -52.794691
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -83.762303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762303 (E_RNA)
where:
Base-Base interactions energy: -39.545
where: short stacking energy: -39.545
Base-Backbone interact. energy: 1.123
local terms energy: -45.340602
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -223.038256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.038256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.038256 (E_RNA)
where:
Base-Base interactions energy: -139.918
where: short stacking energy: -69.433
Base-Backbone interact. energy: -0.691
local terms energy: -82.429124
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -21.164
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: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -215.588294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.588294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.588294 (E_RNA)
where:
Base-Base interactions energy: -145.824
where: short stacking energy: -61.725
Base-Backbone interact. energy: -0.070
local terms energy: -69.693969
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -202.899072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.899072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.899072 (E_RNA)
where:
Base-Base interactions energy: -130.607
where: short stacking energy: -55.298
Base-Backbone interact. energy: -1.223
local terms energy: -71.069773
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -204.690074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.690074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.690074 (E_RNA)
where:
Base-Base interactions energy: -130.127
where: short stacking energy: -65.689
Base-Backbone interact. energy: 0.189
local terms energy: -74.752641
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -167.833078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.833078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.833078 (E_RNA)
where:
Base-Base interactions energy: -101.754
where: short stacking energy: -45.497
Base-Backbone interact. energy: -0.125
local terms energy: -65.954196
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -113.214127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.214127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.214127 (E_RNA)
where:
Base-Base interactions energy: -56.856
where: short stacking energy: -31.560
Base-Backbone interact. energy: -0.072
local terms energy: -56.286105
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -7.304
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: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -155.687052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.687052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.687052 (E_RNA)
where:
Base-Base interactions energy: -88.801
where: short stacking energy: -38.750
Base-Backbone interact. energy: -0.588
local terms energy: -66.297690
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -85.701955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.701955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.701955 (E_RNA)
where:
Base-Base interactions energy: -32.998
where: short stacking energy: -29.919
Base-Backbone interact. energy: 1.087
local terms energy: -53.790859
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -6.241
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: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -79.088174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.088174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.088174 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -20.907
Base-Backbone interact. energy: -0.291
local terms energy: -55.088168
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -77.772461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.772461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.772461 (E_RNA)
where:
Base-Base interactions energy: -31.059
where: short stacking energy: -31.048
Base-Backbone interact. energy: -0.190
local terms energy: -46.523800
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -3.180
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: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -224.392391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.392391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.392391 (E_RNA)
where:
Base-Base interactions energy: -144.987
where: short stacking energy: -72.848
Base-Backbone interact. energy: -0.632
local terms energy: -78.773842
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -20.374
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: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -216.568577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.568577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.568577 (E_RNA)
where:
Base-Base interactions energy: -150.806
where: short stacking energy: -51.618
Base-Backbone interact. energy: -2.162
local terms energy: -63.600606
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -8.841
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: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -223.724562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.724562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.724562 (E_RNA)
where:
Base-Base interactions energy: -152.318
where: short stacking energy: -55.211
Base-Backbone interact. energy: -0.064
local terms energy: -71.342118
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -188.189353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.189353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.189353 (E_RNA)
where:
Base-Base interactions energy: -123.953
where: short stacking energy: -49.731
Base-Backbone interact. energy: -0.011
local terms energy: -64.225298
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -159.654699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.654699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.654699 (E_RNA)
where:
Base-Base interactions energy: -100.312
where: short stacking energy: -49.867
Base-Backbone interact. energy: -0.110
local terms energy: -59.232495
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -160.526353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.526353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.526353 (E_RNA)
where:
Base-Base interactions energy: -100.843
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.032
local terms energy: -59.651408
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -10.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -90.753000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.753000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.753000 (E_RNA)
where:
Base-Base interactions energy: -42.932
where: short stacking energy: -30.062
Base-Backbone interact. energy: -0.055
local terms energy: -47.765915
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -7.697
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: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -89.609451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.609451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.609451 (E_RNA)
where:
Base-Base interactions energy: -32.888
where: short stacking energy: -32.888
Base-Backbone interact. energy: -0.271
local terms energy: -56.450544
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -6.831
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: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -94.763032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.763032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.763032 (E_RNA)
where:
Base-Base interactions energy: -37.873
where: short stacking energy: -35.394
Base-Backbone interact. energy: -0.087
local terms energy: -56.802972
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -5.299
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: 413
Temperature: 1.350000
Total energy: -75.128032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.128032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.128032 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.627
local terms energy: -43.244407
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -7.741
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: 0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -227.186258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.186258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.186258 (E_RNA)
where:
Base-Base interactions energy: -147.022
where: short stacking energy: -73.147
Base-Backbone interact. energy: -0.002
local terms energy: -80.162446
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -218.479585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.479585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.479585 (E_RNA)
where:
Base-Base interactions energy: -148.433
where: short stacking energy: -55.156
Base-Backbone interact. energy: -0.498
local terms energy: -69.548713
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -213.724160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.724160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.724160 (E_RNA)
where:
Base-Base interactions energy: -145.686
where: short stacking energy: -66.661
Base-Backbone interact. energy: -0.897
local terms energy: -67.141466
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -16.213
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: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -170.860830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.860830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.860830 (E_RNA)
where:
Base-Base interactions energy: -106.759
where: short stacking energy: -37.645
Base-Backbone interact. energy: -0.600
local terms energy: -63.501081
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -189.018227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.018227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.018227 (E_RNA)
where:
Base-Base interactions energy: -113.507
where: short stacking energy: -55.002
Base-Backbone interact. energy: -0.062
local terms energy: -75.449049
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -12.947
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: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -159.963519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.963519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.963519 (E_RNA)
where:
Base-Base interactions energy: -92.123
where: short stacking energy: -51.844
Base-Backbone interact. energy: -0.460
local terms energy: -67.380430
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -86.342786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.342786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.342786 (E_RNA)
where:
Base-Base interactions energy: -32.181
where: short stacking energy: -32.181
Base-Backbone interact. energy: -0.446
local terms energy: -53.715349
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -4.704
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: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -89.729675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.729675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.729675 (E_RNA)
where:
Base-Base interactions energy: -32.857
where: short stacking energy: -33.201
Base-Backbone interact. energy: 0.471
local terms energy: -57.343011
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -80.962706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.962706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.962706 (E_RNA)
where:
Base-Base interactions energy: -34.408
where: short stacking energy: -27.711
Base-Backbone interact. energy: -0.089
local terms energy: -46.465145
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -80.681114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.681114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.681114 (E_RNA)
where:
Base-Base interactions energy: -30.729
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.059
local terms energy: -49.893348
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -8.424
flat angles P-C4'-P energy: -10.415
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: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -227.033802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.033802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.033802 (E_RNA)
where:
Base-Base interactions energy: -141.749
where: short stacking energy: -66.389
Base-Backbone interact. energy: -1.386
local terms energy: -83.898819
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -20.625
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: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -226.517330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.517330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.517330 (E_RNA)
where:
Base-Base interactions energy: -154.450
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.511
local terms energy: -71.556748
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -200.229918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.229918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.229918 (E_RNA)
where:
Base-Base interactions energy: -134.384
where: short stacking energy: -46.090
Base-Backbone interact. energy: -0.707
local terms energy: -65.139438
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -8.297
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: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -186.363013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.363013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.363013 (E_RNA)
where:
Base-Base interactions energy: -116.383
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.002
local terms energy: -69.977839
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -18.519
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: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -157.704000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.704000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.704000 (E_RNA)
where:
Base-Base interactions energy: -90.784
where: short stacking energy: -48.956
Base-Backbone interact. energy: 0.894
local terms energy: -67.813451
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -154.076937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.076937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.076937 (E_RNA)
where:
Base-Base interactions energy: -96.873
where: short stacking energy: -47.628
Base-Backbone interact. energy: -1.167
local terms energy: -56.037407
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -94.015398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.015398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.015398 (E_RNA)
where:
Base-Base interactions energy: -39.101
where: short stacking energy: -39.401
Base-Backbone interact. energy: -0.028
local terms energy: -54.886459
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -78.528979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.528979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.528979 (E_RNA)
where:
Base-Base interactions energy: -32.054
where: short stacking energy: -31.005
Base-Backbone interact. energy: -0.262
local terms energy: -46.213343
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -4.434
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -77.030474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.030474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.030474 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.033
local terms energy: -45.061384
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -6.618
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: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -83.500280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.500280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.500280 (E_RNA)
where:
Base-Base interactions energy: -36.172
where: short stacking energy: -33.775
Base-Backbone interact. energy: -0.442
local terms energy: -46.886056
where:
bonds (distance) C4'-P energy: -7.510
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -2.998
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: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -224.099096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.099096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.099096 (E_RNA)
where:
Base-Base interactions energy: -154.083
where: short stacking energy: -55.279
Base-Backbone interact. energy: 1.039
local terms energy: -71.055190
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.515
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: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -223.338449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.338449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.338449 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -67.324
Base-Backbone interact. energy: -0.007
local terms energy: -82.381697
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -207.495597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.495597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.495597 (E_RNA)
where:
Base-Base interactions energy: -143.551
where: short stacking energy: -50.042
Base-Backbone interact. energy: -0.707
local terms energy: -63.237286
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -182.376401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.376401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.376401 (E_RNA)
where:
Base-Base interactions energy: -114.026
where: short stacking energy: -65.842
Base-Backbone interact. energy: -0.073
local terms energy: -68.277912
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -178.330079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.330079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.330079 (E_RNA)
where:
Base-Base interactions energy: -116.177
where: short stacking energy: -46.121
Base-Backbone interact. energy: -0.270
local terms energy: -61.882469
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -10.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -140.665750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.665750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.665750 (E_RNA)
where:
Base-Base interactions energy: -86.655
where: short stacking energy: -41.894
Base-Backbone interact. energy: -0.050
local terms energy: -53.960871
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -125.497529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.497529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.497529 (E_RNA)
where:
Base-Base interactions energy: -62.656
where: short stacking energy: -43.536
Base-Backbone interact. energy: -0.649
local terms energy: -62.191950
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -110.409191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.409191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.409191 (E_RNA)
where:
Base-Base interactions energy: -57.467
where: short stacking energy: -25.764
Base-Backbone interact. energy: -0.017
local terms energy: -52.925723
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -3.064
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: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -82.119659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.119659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.119659 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -27.905
Base-Backbone interact. energy: -0.189
local terms energy: -49.655360
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -76.140135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.140135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.140135 (E_RNA)
where:
Base-Base interactions energy: -28.358
where: short stacking energy: -21.632
Base-Backbone interact. energy: 1.019
local terms energy: -48.800921
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: 1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -221.676082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.676082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.676082 (E_RNA)
where:
Base-Base interactions energy: -144.227
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.630
local terms energy: -76.819804
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -215.319085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.319085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.319085 (E_RNA)
where:
Base-Base interactions energy: -144.378
where: short stacking energy: -58.103
Base-Backbone interact. energy: -0.639
local terms energy: -70.302148
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -213.028275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.028275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.028275 (E_RNA)
where:
Base-Base interactions energy: -142.424
where: short stacking energy: -71.761
Base-Backbone interact. energy: -0.002
local terms energy: -70.601911
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -194.951667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.951667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.951667 (E_RNA)
where:
Base-Base interactions energy: -128.067
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.116
local terms energy: -66.768794
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -155.551620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.551620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.551620 (E_RNA)
where:
Base-Base interactions energy: -97.205
where: short stacking energy: -51.357
Base-Backbone interact. energy: -0.609
local terms energy: -57.737668
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -94.264190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.264190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.264190 (E_RNA)
where:
Base-Base interactions energy: -36.959
where: short stacking energy: -19.147
Base-Backbone interact. energy: -0.517
local terms energy: -56.788567
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -142.561336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.561336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.561336 (E_RNA)
where:
Base-Base interactions energy: -89.408
where: short stacking energy: -45.650
Base-Backbone interact. energy: -1.086
local terms energy: -52.067634
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -108.830726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.830726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.830726 (E_RNA)
where:
Base-Base interactions energy: -64.496
where: short stacking energy: -31.910
Base-Backbone interact. energy: -0.089
local terms energy: -44.245510
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -85.078804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.078804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.078804 (E_RNA)
where:
Base-Base interactions energy: -33.523
where: short stacking energy: -20.792
Base-Backbone interact. energy: -0.787
local terms energy: -50.768581
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -4.453
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: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -80.151356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.151356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.151356 (E_RNA)
where:
Base-Base interactions energy: -37.358
where: short stacking energy: -22.153
Base-Backbone interact. energy: -0.303
local terms energy: -42.490502
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -215.819970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.819970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.819970 (E_RNA)
where:
Base-Base interactions energy: -144.623
where: short stacking energy: -51.580
Base-Backbone interact. energy: -0.115
local terms energy: -71.082491
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -209.358189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.358189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.358189 (E_RNA)
where:
Base-Base interactions energy: -146.660
where: short stacking energy: -51.894
Base-Backbone interact. energy: -0.335
local terms energy: -62.363692
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -212.443255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.443255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.443255 (E_RNA)
where:
Base-Base interactions energy: -141.376
where: short stacking energy: -67.910
Base-Backbone interact. energy: -0.015
local terms energy: -71.052527
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -9.776
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: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -180.055365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.055365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.055365 (E_RNA)
where:
Base-Base interactions energy: -109.120
where: short stacking energy: -61.273
Base-Backbone interact. energy: -0.000
local terms energy: -70.934834
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -178.022261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.022261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.022261 (E_RNA)
where:
Base-Base interactions energy: -120.119
where: short stacking energy: -50.750
Base-Backbone interact. energy: -1.143
local terms energy: -56.759630
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -94.238106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.238106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.238106 (E_RNA)
where:
Base-Base interactions energy: -47.377
where: short stacking energy: -16.849
Base-Backbone interact. energy: -0.440
local terms energy: -46.422044
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -6.787
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: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -145.539438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.539438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.539438 (E_RNA)
where:
Base-Base interactions energy: -94.770
where: short stacking energy: -38.460
Base-Backbone interact. energy: -0.132
local terms energy: -50.636966
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -83.945967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.945967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.945967 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -24.315
Base-Backbone interact. energy: -0.546
local terms energy: -47.850677
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -8.305
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -81.743216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.743216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.743216 (E_RNA)
where:
Base-Base interactions energy: -36.492
where: short stacking energy: -34.745
Base-Backbone interact. energy: -0.202
local terms energy: -45.049745
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -81.260783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.260783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.260783 (E_RNA)
where:
Base-Base interactions energy: -27.672
where: short stacking energy: -27.672
Base-Backbone interact. energy: -0.016
local terms energy: -53.572853
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -3.980
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: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -226.176743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.176743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.176743 (E_RNA)
where:
Base-Base interactions energy: -154.208
where: short stacking energy: -54.662
Base-Backbone interact. energy: -1.317
local terms energy: -70.651248
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -210.640844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.640844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.640844 (E_RNA)
where:
Base-Base interactions energy: -140.191
where: short stacking energy: -53.657
Base-Backbone interact. energy: -0.160
local terms energy: -70.289072
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -204.954405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.954405 (E_RNA)
where:
Base-Base interactions energy: -131.154
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.077
local terms energy: -73.723265
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -185.432286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.432286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.432286 (E_RNA)
where:
Base-Base interactions energy: -114.049
where: short stacking energy: -58.588
Base-Backbone interact. energy: -1.285
local terms energy: -70.098221
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -170.468051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.468051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.468051 (E_RNA)
where:
Base-Base interactions energy: -102.126
where: short stacking energy: -53.946
Base-Backbone interact. energy: -0.022
local terms energy: -68.320269
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -151.466504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.466504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.466504 (E_RNA)
where:
Base-Base interactions energy: -86.949
where: short stacking energy: -53.518
Base-Backbone interact. energy: -0.827
local terms energy: -63.691339
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -109.826484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.826484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.826484 (E_RNA)
where:
Base-Base interactions energy: -45.900
where: short stacking energy: -28.506
Base-Backbone interact. energy: -0.479
local terms energy: -63.447498
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -84.325179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.325179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.325179 (E_RNA)
where:
Base-Base interactions energy: -31.465
where: short stacking energy: -23.081
Base-Backbone interact. energy: -0.173
local terms energy: -52.686584
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -82.891535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.891535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.891535 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -38.438
Base-Backbone interact. energy: -0.144
local terms energy: -44.129749
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -81.106178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.106178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.106178 (E_RNA)
where:
Base-Base interactions energy: -28.452
where: short stacking energy: -28.414
Base-Backbone interact. energy: -0.177
local terms energy: -52.476992
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -219.211400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.211400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.211400 (E_RNA)
where:
Base-Base interactions energy: -144.820
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.321
local terms energy: -74.071193
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -20.407
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: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -208.660035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.660035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.660035 (E_RNA)
where:
Base-Base interactions energy: -145.798
where: short stacking energy: -52.900
Base-Backbone interact. energy: -0.998
local terms energy: -61.864477
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -9.106
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: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -208.180581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.180581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.180581 (E_RNA)
where:
Base-Base interactions energy: -142.683
where: short stacking energy: -46.923
Base-Backbone interact. energy: -0.236
local terms energy: -65.262408
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -181.759814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.759814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.759814 (E_RNA)
where:
Base-Base interactions energy: -117.076
where: short stacking energy: -59.103
Base-Backbone interact. energy: -1.084
local terms energy: -63.599970
where:
bonds (distance) C4'-P energy: -5.599
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -187.968474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.968474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.968474 (E_RNA)
where:
Base-Base interactions energy: -116.391
where: short stacking energy: -65.141
Base-Backbone interact. energy: -0.041
local terms energy: -71.535802
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -184.437786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.437786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.437786 (E_RNA)
where:
Base-Base interactions energy: -125.067
where: short stacking energy: -46.774
Base-Backbone interact. energy: -0.175
local terms energy: -59.195624
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -6.049
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: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -92.629584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.629584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.629584 (E_RNA)
where:
Base-Base interactions energy: -44.064
where: short stacking energy: -28.980
Base-Backbone interact. energy: -0.036
local terms energy: -48.529321
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -97.668510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.668510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.668510 (E_RNA)
where:
Base-Base interactions energy: -48.227
where: short stacking energy: -32.582
Base-Backbone interact. energy: -0.013
local terms energy: -49.428524
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -99.781492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.781492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.781492 (E_RNA)
where:
Base-Base interactions energy: -53.656
where: short stacking energy: -37.757
Base-Backbone interact. energy: 0.377
local terms energy: -46.502855
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -8.677
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -73.632756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.632756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.632756 (E_RNA)
where:
Base-Base interactions energy: -26.968
where: short stacking energy: -26.968
Base-Backbone interact. energy: -0.006
local terms energy: -46.658736
where:
bonds (distance) C4'-P energy: -7.558
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -212.129008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.129008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.129008 (E_RNA)
where:
Base-Base interactions energy: -140.273
where: short stacking energy: -54.920
Base-Backbone interact. energy: -0.100
local terms energy: -71.756085
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -16.176
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: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -221.405350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.405350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.405350 (E_RNA)
where:
Base-Base interactions energy: -148.463
where: short stacking energy: -71.933
Base-Backbone interact. energy: -0.001
local terms energy: -72.941040
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -219.366386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.366386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.366386 (E_RNA)
where:
Base-Base interactions energy: -153.070
where: short stacking energy: -54.304
Base-Backbone interact. energy: -0.913
local terms energy: -65.382733
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -8.963
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: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -159.565960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.565960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.565960 (E_RNA)
where:
Base-Base interactions energy: -95.823
where: short stacking energy: -50.631
Base-Backbone interact. energy: -0.009
local terms energy: -63.733495
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -171.762105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.762105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.762105 (E_RNA)
where:
Base-Base interactions energy: -101.853
where: short stacking energy: -50.137
Base-Backbone interact. energy: -0.575
local terms energy: -69.334283
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -192.447840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.447840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.447840 (E_RNA)
where:
Base-Base interactions energy: -122.293
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.006
local terms energy: -70.149110
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -85.305932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.305932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.305932 (E_RNA)
where:
Base-Base interactions energy: -40.357
where: short stacking energy: -34.580
Base-Backbone interact. energy: 0.353
local terms energy: -45.301168
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -8.172
flat angles P-C4'-P energy: -6.106
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: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -88.760601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.760601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.760601 (E_RNA)
where:
Base-Base interactions energy: -35.539
where: short stacking energy: -32.472
Base-Backbone interact. energy: 0.083
local terms energy: -53.304756
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -4.744
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: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -93.240993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.240993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.240993 (E_RNA)
where:
Base-Base interactions energy: -44.338
where: short stacking energy: -28.235
Base-Backbone interact. energy: -0.081
local terms energy: -48.821628
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -77.030149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.030149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.030149 (E_RNA)
where:
Base-Base interactions energy: -23.025
where: short stacking energy: -19.737
Base-Backbone interact. energy: -0.751
local terms energy: -53.254146
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -221.416678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.416678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.416678 (E_RNA)
where:
Base-Base interactions energy: -152.440
where: short stacking energy: -65.280
Base-Backbone interact. energy: -0.015
local terms energy: -68.961621
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -212.268392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.268392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.268392 (E_RNA)
where:
Base-Base interactions energy: -140.879
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.033
local terms energy: -71.356400
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -7.945
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: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -184.497644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.497644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.497644 (E_RNA)
where:
Base-Base interactions energy: -118.341
where: short stacking energy: -60.477
Base-Backbone interact. energy: -0.148
local terms energy: -66.008051
where:
bonds (distance) C4'-P energy: -7.490
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -201.905697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.905697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.905697 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -49.410
Base-Backbone interact. energy: 1.813
local terms energy: -62.879414
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -194.327223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.327223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.327223 (E_RNA)
where:
Base-Base interactions energy: -131.621
where: short stacking energy: -49.856
Base-Backbone interact. energy: -2.503
local terms energy: -60.203230
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -11.491
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: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -162.710841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.710841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.710841 (E_RNA)
where:
Base-Base interactions energy: -100.712
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.800
local terms energy: -61.199277
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -10.315
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: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -81.638209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.638209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.638209 (E_RNA)
where:
Base-Base interactions energy: -27.041
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.027
local terms energy: -54.570356
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -83.984698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.984698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.984698 (E_RNA)
where:
Base-Base interactions energy: -29.365
where: short stacking energy: -29.365
Base-Backbone interact. energy: -0.112
local terms energy: -54.506888
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -84.232195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.232195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.232195 (E_RNA)
where:
Base-Base interactions energy: -35.138
where: short stacking energy: -35.138
Base-Backbone interact. energy: -0.567
local terms energy: -48.526692
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -9.046
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -74.917956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.917956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.917956 (E_RNA)
where:
Base-Base interactions energy: -24.557
where: short stacking energy: -24.557
Base-Backbone interact. energy: -0.015
local terms energy: -50.345060
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -5.809
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: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -224.608006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.608006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.608006 (E_RNA)
where:
Base-Base interactions energy: -145.576
where: short stacking energy: -73.080
Base-Backbone interact. energy: -0.058
local terms energy: -78.974552
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -224.578114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.578114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.578114 (E_RNA)
where:
Base-Base interactions energy: -155.872
where: short stacking energy: -63.883
Base-Backbone interact. energy: -0.232
local terms energy: -68.473842
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -188.368264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.368264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.368264 (E_RNA)
where:
Base-Base interactions energy: -119.806
where: short stacking energy: -70.739
Base-Backbone interact. energy: -0.001
local terms energy: -68.561216
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -187.064001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.064001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.064001 (E_RNA)
where:
Base-Base interactions energy: -120.035
where: short stacking energy: -45.707
Base-Backbone interact. energy: -0.867
local terms energy: -66.162010
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -194.428413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.428413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.428413 (E_RNA)
where:
Base-Base interactions energy: -122.472
where: short stacking energy: -44.910
Base-Backbone interact. energy: -1.063
local terms energy: -70.893434
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -13.166
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: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -93.542825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.542825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.542825 (E_RNA)
where:
Base-Base interactions energy: -40.682
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.060
local terms energy: -52.801523
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: 0.843
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: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -176.764103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.764103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.764103 (E_RNA)
where:
Base-Base interactions energy: -110.162
where: short stacking energy: -54.729
Base-Backbone interact. energy: 0.586
local terms energy: -67.188341
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -80.946517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.946517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.946517 (E_RNA)
where:
Base-Base interactions energy: -37.668
where: short stacking energy: -34.362
Base-Backbone interact. energy: -0.002
local terms energy: -43.275903
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: 0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -86.877470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.877470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.877470 (E_RNA)
where:
Base-Base interactions energy: -35.172
where: short stacking energy: -33.753
Base-Backbone interact. energy: -0.057
local terms energy: -51.648801
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -5.480
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: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -71.466341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.466341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.466341 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -26.925
Base-Backbone interact. energy: 3.785
local terms energy: -46.287734
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -5.195
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: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -224.875383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.875383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.875383 (E_RNA)
where:
Base-Base interactions energy: -147.861
where: short stacking energy: -75.842
Base-Backbone interact. energy: -0.019
local terms energy: -76.995962
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -22.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -222.635776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.635776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.635776 (E_RNA)
where:
Base-Base interactions energy: -153.253
where: short stacking energy: -65.692
Base-Backbone interact. energy: -0.346
local terms energy: -69.037357
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -206.750416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.750416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.750416 (E_RNA)
where:
Base-Base interactions energy: -139.746
where: short stacking energy: -52.249
Base-Backbone interact. energy: -0.309
local terms energy: -66.695402
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -187.203818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.203818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.203818 (E_RNA)
where:
Base-Base interactions energy: -114.462
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.419
local terms energy: -72.322766
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -188.419815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.419815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.419815 (E_RNA)
where:
Base-Base interactions energy: -121.802
where: short stacking energy: -49.593
Base-Backbone interact. energy: -0.055
local terms energy: -66.563035
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -100.293857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.293857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.293857 (E_RNA)
where:
Base-Base interactions energy: -45.893
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.246
local terms energy: -54.154780
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -157.819460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.819460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.819460 (E_RNA)
where:
Base-Base interactions energy: -102.829
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.199
local terms energy: -54.791470
where:
bonds (distance) C4'-P energy: -7.828
bonds (distance) P-C4' energy: -8.906
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -88.572628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.572628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.572628 (E_RNA)
where:
Base-Base interactions energy: -33.546
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.003
local terms energy: -55.023691
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -76.576564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.576564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.576564 (E_RNA)
where:
Base-Base interactions energy: -30.142
where: short stacking energy: -27.076
Base-Backbone interact. energy: -0.050
local terms energy: -46.384673
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -85.624713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.624713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.624713 (E_RNA)
where:
Base-Base interactions energy: -32.754
where: short stacking energy: -32.754
Base-Backbone interact. energy: -0.092
local terms energy: -52.778387
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -2.011
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: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -228.563999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.563999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.563999 (E_RNA)
where:
Base-Base interactions energy: -150.829
where: short stacking energy: -65.487
Base-Backbone interact. energy: 0.181
local terms energy: -77.915864
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -216.751622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.751622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.751622 (E_RNA)
where:
Base-Base interactions energy: -137.774
where: short stacking energy: -69.190
Base-Backbone interact. energy: -0.029
local terms energy: -78.948580
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -19.025
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: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -213.775877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.775877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.775877 (E_RNA)
where:
Base-Base interactions energy: -145.844
where: short stacking energy: -58.892
Base-Backbone interact. energy: -0.683
local terms energy: -67.248712
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -169.775329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.775329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.775329 (E_RNA)
where:
Base-Base interactions energy: -106.104
where: short stacking energy: -42.161
Base-Backbone interact. energy: -0.068
local terms energy: -63.603166
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -15.598
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: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -195.193676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.193676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.193676 (E_RNA)
where:
Base-Base interactions energy: -126.854
where: short stacking energy: -45.466
Base-Backbone interact. energy: -0.977
local terms energy: -67.362456
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -164.757794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.757794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.757794 (E_RNA)
where:
Base-Base interactions energy: -110.057
where: short stacking energy: -59.793
Base-Backbone interact. energy: -0.127
local terms energy: -54.573886
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -101.451429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.451429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.451429 (E_RNA)
where:
Base-Base interactions energy: -49.411
where: short stacking energy: -29.299
Base-Backbone interact. energy: 1.884
local terms energy: -53.924243
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -90.709139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.709139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.709139 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -37.112
Base-Backbone interact. energy: 0.187
local terms energy: -53.783748
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -85.664487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.664487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.664487 (E_RNA)
where:
Base-Base interactions energy: -32.554
where: short stacking energy: -30.730
Base-Backbone interact. energy: -0.197
local terms energy: -52.912933
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -4.166
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: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -82.589907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.589907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.589907 (E_RNA)
where:
Base-Base interactions energy: -23.961
where: short stacking energy: -23.961
Base-Backbone interact. energy: -0.091
local terms energy: -58.537621
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -221.603335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.603335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.603335 (E_RNA)
where:
Base-Base interactions energy: -147.613
where: short stacking energy: -68.092
Base-Backbone interact. energy: -0.005
local terms energy: -73.985919
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -211.326354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.326354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.326354 (E_RNA)
where:
Base-Base interactions energy: -142.324
where: short stacking energy: -63.495
Base-Backbone interact. energy: -0.021
local terms energy: -68.981808
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -200.692799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.692799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.692799 (E_RNA)
where:
Base-Base interactions energy: -140.269
where: short stacking energy: -43.889
Base-Backbone interact. energy: -0.262
local terms energy: -60.162164
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -7.884
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: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -165.089755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.089755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.089755 (E_RNA)
where:
Base-Base interactions energy: -105.961
where: short stacking energy: -45.685
Base-Backbone interact. energy: -1.915
local terms energy: -57.213510
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -192.145895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.145895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.145895 (E_RNA)
where:
Base-Base interactions energy: -133.328
where: short stacking energy: -43.306
Base-Backbone interact. energy: 0.008
local terms energy: -58.826073
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -147.571622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.571622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.571622 (E_RNA)
where:
Base-Base interactions energy: -92.229
where: short stacking energy: -46.211
Base-Backbone interact. energy: -1.079
local terms energy: -54.263794
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -6.241
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: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -125.271932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.271932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.271932 (E_RNA)
where:
Base-Base interactions energy: -71.784
where: short stacking energy: -37.126
Base-Backbone interact. energy: -0.504
local terms energy: -52.984292
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -8.712
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: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -84.767610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.767610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.767610 (E_RNA)
where:
Base-Base interactions energy: -27.721
where: short stacking energy: -25.568
Base-Backbone interact. energy: -0.130
local terms energy: -56.916181
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -101.356380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.356380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.356380 (E_RNA)
where:
Base-Base interactions energy: -46.706
where: short stacking energy: -37.914
Base-Backbone interact. energy: 0.192
local terms energy: -54.841558
where:
bonds (distance) C4'-P energy: -3.938
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -72.682821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.682821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.682821 (E_RNA)
where:
Base-Base interactions energy: -19.296
where: short stacking energy: -19.214
Base-Backbone interact. energy: -0.104
local terms energy: -53.282150
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -224.106199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.106199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.106199 (E_RNA)
where:
Base-Base interactions energy: -152.345
where: short stacking energy: -68.706
Base-Backbone interact. energy: -0.032
local terms energy: -71.728842
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -7.961
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: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -211.292140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.292140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.292140 (E_RNA)
where:
Base-Base interactions energy: -134.451
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.652
local terms energy: -76.189869
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -209.712301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.712301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.712301 (E_RNA)
where:
Base-Base interactions energy: -155.722
where: short stacking energy: -48.660
Base-Backbone interact. energy: -0.186
local terms energy: -53.804374
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -7.482
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -189.714089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.714089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.714089 (E_RNA)
where:
Base-Base interactions energy: -116.526
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.091
local terms energy: -73.096901
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -16.609
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: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -172.419402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.419402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.419402 (E_RNA)
where:
Base-Base interactions energy: -108.819
where: short stacking energy: -44.130
Base-Backbone interact. energy: -0.376
local terms energy: -63.223711
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -127.995262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.995262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.995262 (E_RNA)
where:
Base-Base interactions energy: -63.431
where: short stacking energy: -32.926
Base-Backbone interact. energy: -0.653
local terms energy: -63.911116
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -149.672279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.672279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.672279 (E_RNA)
where:
Base-Base interactions energy: -93.132
where: short stacking energy: -49.384
Base-Backbone interact. energy: -0.330
local terms energy: -56.210064
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -96.016091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.016091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.016091 (E_RNA)
where:
Base-Base interactions energy: -54.033
where: short stacking energy: -17.317
Base-Backbone interact. energy: 2.665
local terms energy: -44.647680
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -9.723
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: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -85.779579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.779579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.779579 (E_RNA)
where:
Base-Base interactions energy: -28.487
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.172
local terms energy: -57.120850
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -82.279011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.279011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.279011 (E_RNA)
where:
Base-Base interactions energy: -37.840
where: short stacking energy: -26.696
Base-Backbone interact. energy: -0.273
local terms energy: -44.166647
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -223.229442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.229442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.229442 (E_RNA)
where:
Base-Base interactions energy: -150.042
where: short stacking energy: -76.298
Base-Backbone interact. energy: -0.042
local terms energy: -73.145598
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -215.903837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.903837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.903837 (E_RNA)
where:
Base-Base interactions energy: -146.931
where: short stacking energy: -56.297
Base-Backbone interact. energy: -0.797
local terms energy: -68.175437
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -18.975
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: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -180.918785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.918785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.918785 (E_RNA)
where:
Base-Base interactions energy: -113.019
where: short stacking energy: -54.637
Base-Backbone interact. energy: -0.996
local terms energy: -66.904614
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -9.780
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -203.863622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.863622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.863622 (E_RNA)
where:
Base-Base interactions energy: -142.724
where: short stacking energy: -58.743
Base-Backbone interact. energy: -1.020
local terms energy: -60.119913
where:
bonds (distance) C4'-P energy: -6.319
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -169.435650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.435650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.435650 (E_RNA)
where:
Base-Base interactions energy: -105.439
where: short stacking energy: -44.245
Base-Backbone interact. energy: -0.105
local terms energy: -63.891446
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -109.445561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.445561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.445561 (E_RNA)
where:
Base-Base interactions energy: -59.459
where: short stacking energy: -33.310
Base-Backbone interact. energy: 0.431
local terms energy: -50.417106
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -148.213718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.213718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.213718 (E_RNA)
where:
Base-Base interactions energy: -98.324
where: short stacking energy: -38.460
Base-Backbone interact. energy: -0.355
local terms energy: -49.534762
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -89.167135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.167135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.167135 (E_RNA)
where:
Base-Base interactions energy: -48.398
where: short stacking energy: -22.169
Base-Backbone interact. energy: -0.177
local terms energy: -40.592315
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -8.109
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: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -73.722306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.722306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.722306 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -12.734
Base-Backbone interact. energy: -0.237
local terms energy: -43.531122
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: 5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -81.240483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.240483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.240483 (E_RNA)
where:
Base-Base interactions energy: -27.207
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.049
local terms energy: -53.984549
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: 0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -223.829349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.829349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.829349 (E_RNA)
where:
Base-Base interactions energy: -142.966
where: short stacking energy: -70.050
Base-Backbone interact. energy: -0.000
local terms energy: -80.863292
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -218.437510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.437510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.437510 (E_RNA)
where:
Base-Base interactions energy: -140.692
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.043
local terms energy: -77.702525
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -174.419943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.419943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.419943 (E_RNA)
where:
Base-Base interactions energy: -104.154
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.063
local terms energy: -70.202609
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -15.220
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: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -209.173045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.173045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.173045 (E_RNA)
where:
Base-Base interactions energy: -144.882
where: short stacking energy: -48.797
Base-Backbone interact. energy: -0.068
local terms energy: -64.222751
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -12.273
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: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -193.043538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.043538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.043538 (E_RNA)
where:
Base-Base interactions energy: -120.490
where: short stacking energy: -51.772
Base-Backbone interact. energy: -0.691
local terms energy: -71.862940
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -166.988930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.988930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.988930 (E_RNA)
where:
Base-Base interactions energy: -103.989
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.077
local terms energy: -62.922869
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -9.247
flat angles P-C4'-P energy: -12.282
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: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -106.669171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.669171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.669171 (E_RNA)
where:
Base-Base interactions energy: -48.768
where: short stacking energy: -28.612
Base-Backbone interact. energy: -0.016
local terms energy: -57.884770
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -6.931
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: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -88.775089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.775089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.775089 (E_RNA)
where:
Base-Base interactions energy: -41.329
where: short stacking energy: -35.392
Base-Backbone interact. energy: -0.172
local terms energy: -47.274231
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -84.398409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.398409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.398409 (E_RNA)
where:
Base-Base interactions energy: -29.562
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.246
local terms energy: -54.590451
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -7.127
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: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -72.385094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.385094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.385094 (E_RNA)
where:
Base-Base interactions energy: -24.820
where: short stacking energy: -22.082
Base-Backbone interact. energy: 0.339
local terms energy: -47.904134
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -212.718644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.718644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.718644 (E_RNA)
where:
Base-Base interactions energy: -141.007
where: short stacking energy: -53.858
Base-Backbone interact. energy: -0.390
local terms energy: -71.321578
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -14.187
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: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -223.806079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.806079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.806079 (E_RNA)
where:
Base-Base interactions energy: -149.165
where: short stacking energy: -73.054
Base-Backbone interact. energy: -0.001
local terms energy: -74.639788
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -21.470
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: 430
Temperature: 1.000000
Total energy: -217.073200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.073200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.073200 (E_RNA)
where:
Base-Base interactions energy: -144.095
where: short stacking energy: -52.858
Base-Backbone interact. energy: -1.479
local terms energy: -71.499684
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -173.804225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.804225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.804225 (E_RNA)
where:
Base-Base interactions energy: -111.493
where: short stacking energy: -50.287
Base-Backbone interact. energy: -0.074
local terms energy: -62.237274
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -201.459152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.459152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.459152 (E_RNA)
where:
Base-Base interactions energy: -128.915
where: short stacking energy: -49.362
Base-Backbone interact. energy: -1.121
local terms energy: -71.422746
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -149.648024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.648024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.648024 (E_RNA)
where:
Base-Base interactions energy: -90.070
where: short stacking energy: -45.268
Base-Backbone interact. energy: -0.117
local terms energy: -59.461068
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.738
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: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -95.695630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.695630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.695630 (E_RNA)
where:
Base-Base interactions energy: -38.361
where: short stacking energy: -38.361
Base-Backbone interact. energy: -0.063
local terms energy: -57.271605
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -92.092902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.092902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.092902 (E_RNA)
where:
Base-Base interactions energy: -28.338
where: short stacking energy: -27.747
Base-Backbone interact. energy: -0.370
local terms energy: -63.385253
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.781
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: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -88.330817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.330817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.330817 (E_RNA)
where:
Base-Base interactions energy: -36.541
where: short stacking energy: -22.363
Base-Backbone interact. energy: -0.144
local terms energy: -51.645987
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -5.349
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: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -74.872223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.872223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.872223 (E_RNA)
where:
Base-Base interactions energy: -34.607
where: short stacking energy: -18.316
Base-Backbone interact. energy: -0.448
local terms energy: -39.816875
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -215.990891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.990891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.990891 (E_RNA)
where:
Base-Base interactions energy: -143.962
where: short stacking energy: -68.130
Base-Backbone interact. energy: -0.340
local terms energy: -71.688702
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -207.607976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.607976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.607976 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -61.060
Base-Backbone interact. energy: -0.006
local terms energy: -72.222478
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -220.780369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.780369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.780369 (E_RNA)
where:
Base-Base interactions energy: -148.679
where: short stacking energy: -71.131
Base-Backbone interact. energy: -0.012
local terms energy: -72.088880
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -9.013
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -203.236942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.236942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.236942 (E_RNA)
where:
Base-Base interactions energy: -142.695
where: short stacking energy: -49.946
Base-Backbone interact. energy: -0.083
local terms energy: -60.458679
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -165.323296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.323296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.323296 (E_RNA)
where:
Base-Base interactions energy: -100.371
where: short stacking energy: -48.114
Base-Backbone interact. energy: -0.090
local terms energy: -64.862016
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -145.628294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.628294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.628294 (E_RNA)
where:
Base-Base interactions energy: -87.253
where: short stacking energy: -41.556
Base-Backbone interact. energy: 0.228
local terms energy: -58.603202
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -85.340597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.340597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.340597 (E_RNA)
where:
Base-Base interactions energy: -22.596
where: short stacking energy: -20.360
Base-Backbone interact. energy: -0.192
local terms energy: -62.552562
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -84.181982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.181982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.181982 (E_RNA)
where:
Base-Base interactions energy: -35.494
where: short stacking energy: -21.303
Base-Backbone interact. energy: -0.371
local terms energy: -48.316067
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -84.536234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.536234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.536234 (E_RNA)
where:
Base-Base interactions energy: -34.250
where: short stacking energy: -30.951
Base-Backbone interact. energy: 1.343
local terms energy: -51.629815
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -83.561560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.561560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.561560 (E_RNA)
where:
Base-Base interactions energy: -32.679
where: short stacking energy: -32.679
Base-Backbone interact. energy: -0.054
local terms energy: -50.828182
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -222.008593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.008593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.008593 (E_RNA)
where:
Base-Base interactions energy: -143.273
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.791
local terms energy: -77.944975
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -12.591
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: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -200.839700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.839700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.839700 (E_RNA)
where:
Base-Base interactions energy: -131.078
where: short stacking energy: -60.685
Base-Backbone interact. energy: -1.235
local terms energy: -68.526602
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -14.507
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: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -211.014378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.014378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.014378 (E_RNA)
where:
Base-Base interactions energy: -130.532
where: short stacking energy: -63.763
Base-Backbone interact. energy: -0.067
local terms energy: -80.415982
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -22.571
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: 432
Temperature: 1.050000
Total energy: -203.398745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.398745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.398745 (E_RNA)
where:
Base-Base interactions energy: -130.838
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.825
local terms energy: -71.736054
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -150.624143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.624143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.624143 (E_RNA)
where:
Base-Base interactions energy: -89.429
where: short stacking energy: -44.875
Base-Backbone interact. energy: -0.010
local terms energy: -61.184985
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -139.146986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.146986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.146986 (E_RNA)
where:
Base-Base interactions energy: -86.865
where: short stacking energy: -53.525
Base-Backbone interact. energy: -0.066
local terms energy: -52.216076
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -88.335111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.335111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.335111 (E_RNA)
where:
Base-Base interactions energy: -36.288
where: short stacking energy: -30.349
Base-Backbone interact. energy: -0.135
local terms energy: -51.911464
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -83.239513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.239513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.239513 (E_RNA)
where:
Base-Base interactions energy: -32.436
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.264
local terms energy: -50.539311
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -8.340
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: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -94.625466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.625466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.625466 (E_RNA)
where:
Base-Base interactions energy: -50.313
where: short stacking energy: -24.133
Base-Backbone interact. energy: 2.217
local terms energy: -46.530131
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -1.730
tors. eta vs tors. theta energy: 1.050
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: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -69.793481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.793481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.793481 (E_RNA)
where:
Base-Base interactions energy: -24.653
where: short stacking energy: -21.836
Base-Backbone interact. energy: -0.267
local terms energy: -44.874171
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -6.794
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: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -221.531075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.531075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.531075 (E_RNA)
where:
Base-Base interactions energy: -135.597
where: short stacking energy: -59.335
Base-Backbone interact. energy: -2.999
local terms energy: -82.934712
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -214.028925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.028925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.028925 (E_RNA)
where:
Base-Base interactions energy: -148.038
where: short stacking energy: -65.558
Base-Backbone interact. energy: -0.508
local terms energy: -65.482968
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -18.754
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -188.958393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.958393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.958393 (E_RNA)
where:
Base-Base interactions energy: -124.206
where: short stacking energy: -50.244
Base-Backbone interact. energy: -0.060
local terms energy: -64.692018
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -209.353316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.353316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.353316 (E_RNA)
where:
Base-Base interactions energy: -137.623
where: short stacking energy: -58.884
Base-Backbone interact. energy: -0.419
local terms energy: -71.311006
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -164.840825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.840825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.840825 (E_RNA)
where:
Base-Base interactions energy: -107.399
where: short stacking energy: -38.994
Base-Backbone interact. energy: -0.439
local terms energy: -57.002717
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -167.227709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.227709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.227709 (E_RNA)
where:
Base-Base interactions energy: -99.553
where: short stacking energy: -53.025
Base-Backbone interact. energy: -0.881
local terms energy: -66.793175
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -84.304999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.304999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.304999 (E_RNA)
where:
Base-Base interactions energy: -26.024
where: short stacking energy: -21.504
Base-Backbone interact. energy: -0.094
local terms energy: -58.186457
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -87.467011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.467011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.467011 (E_RNA)
where:
Base-Base interactions energy: -39.323
where: short stacking energy: -26.071
Base-Backbone interact. energy: -0.887
local terms energy: -47.256240
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: 2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -78.979420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.979420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.979420 (E_RNA)
where:
Base-Base interactions energy: -28.095
where: short stacking energy: -27.759
Base-Backbone interact. energy: -0.105
local terms energy: -50.779461
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: 1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -78.243490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.243490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.243490 (E_RNA)
where:
Base-Base interactions energy: -39.981
where: short stacking energy: -33.925
Base-Backbone interact. energy: 0.734
local terms energy: -38.996514
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: 0.637
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -223.292249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.292249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.292249 (E_RNA)
where:
Base-Base interactions energy: -142.268
where: short stacking energy: -70.491
Base-Backbone interact. energy: -0.001
local terms energy: -81.023626
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -228.202924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.202924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.202924 (E_RNA)
where:
Base-Base interactions energy: -148.987
where: short stacking energy: -69.791
Base-Backbone interact. energy: -0.304
local terms energy: -78.911535
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -21.049
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: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -219.252886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.252886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.252886 (E_RNA)
where:
Base-Base interactions energy: -143.289
where: short stacking energy: -71.252
Base-Backbone interact. energy: -0.005
local terms energy: -75.959001
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -20.451
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: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -209.407656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.407656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.407656 (E_RNA)
where:
Base-Base interactions energy: -134.163
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.094
local terms energy: -75.149954
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -178.449148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.449148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.449148 (E_RNA)
where:
Base-Base interactions energy: -101.655
where: short stacking energy: -55.705
Base-Backbone interact. energy: -0.003
local terms energy: -76.791138
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -155.366591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.366591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.366591 (E_RNA)
where:
Base-Base interactions energy: -100.082
where: short stacking energy: -44.008
Base-Backbone interact. energy: -0.051
local terms energy: -55.233179
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -7.374
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: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -90.415021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.415021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.415021 (E_RNA)
where:
Base-Base interactions energy: -40.198
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.302
local terms energy: -49.914817
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -8.468
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: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -98.049447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.049447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.049447 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -37.319
Base-Backbone interact. energy: -0.200
local terms energy: -58.923076
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -93.197118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.197118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.197118 (E_RNA)
where:
Base-Base interactions energy: -47.594
where: short stacking energy: -23.948
Base-Backbone interact. energy: -0.147
local terms energy: -45.456130
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -2.127
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: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -88.926696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.926696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.926696 (E_RNA)
where:
Base-Base interactions energy: -32.772
where: short stacking energy: -32.772
Base-Backbone interact. energy: 0.190
local terms energy: -56.345053
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -229.227379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.227379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.227379 (E_RNA)
where:
Base-Base interactions energy: -148.608
where: short stacking energy: -73.281
Base-Backbone interact. energy: -0.011
local terms energy: -80.607922
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.984
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: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -217.377772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.377772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.377772 (E_RNA)
where:
Base-Base interactions energy: -136.849
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.639
local terms energy: -79.889392
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -216.558155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.558155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.558155 (E_RNA)
where:
Base-Base interactions energy: -148.112
where: short stacking energy: -63.158
Base-Backbone interact. energy: -0.133
local terms energy: -68.313620
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -207.769981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.769981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.769981 (E_RNA)
where:
Base-Base interactions energy: -147.778
where: short stacking energy: -63.113
Base-Backbone interact. energy: -0.059
local terms energy: -59.933279
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -8.632
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -176.037057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.037057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.037057 (E_RNA)
where:
Base-Base interactions energy: -104.934
where: short stacking energy: -59.126
Base-Backbone interact. energy: -0.273
local terms energy: -70.830396
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -7.070
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: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -105.814852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.814852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.814852 (E_RNA)
where:
Base-Base interactions energy: -44.111
where: short stacking energy: -37.030
Base-Backbone interact. energy: -0.030
local terms energy: -61.673004
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -11.540
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: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -160.718778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.718778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.718778 (E_RNA)
where:
Base-Base interactions energy: -103.998
where: short stacking energy: -53.402
Base-Backbone interact. energy: 1.609
local terms energy: -58.330261
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -86.097108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.097108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.097108 (E_RNA)
where:
Base-Base interactions energy: -39.329
where: short stacking energy: -22.014
Base-Backbone interact. energy: 1.064
local terms energy: -47.831920
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -79.069681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.069681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.069681 (E_RNA)
where:
Base-Base interactions energy: -35.893
where: short stacking energy: -30.828
Base-Backbone interact. energy: -0.290
local terms energy: -42.887134
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -3.957
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: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -80.052557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.052557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.052557 (E_RNA)
where:
Base-Base interactions energy: -28.324
where: short stacking energy: -25.765
Base-Backbone interact. energy: -0.350
local terms energy: -51.377787
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -225.891436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.891436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.891436 (E_RNA)
where:
Base-Base interactions energy: -147.306
where: short stacking energy: -73.262
Base-Backbone interact. energy: -0.850
local terms energy: -77.735725
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -214.102098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.102098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.102098 (E_RNA)
where:
Base-Base interactions energy: -134.340
where: short stacking energy: -61.524
Base-Backbone interact. energy: -0.022
local terms energy: -79.739753
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -16.874
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: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -205.370956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.370956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.370956 (E_RNA)
where:
Base-Base interactions energy: -133.431
where: short stacking energy: -58.908
Base-Backbone interact. energy: -0.070
local terms energy: -71.869116
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -13.890
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: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -210.920677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.920677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.920677 (E_RNA)
where:
Base-Base interactions energy: -139.945
where: short stacking energy: -68.519
Base-Backbone interact. energy: -0.708
local terms energy: -70.268297
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -22.389
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: 436
Temperature: 1.100000
Total energy: -175.577854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.577854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.577854 (E_RNA)
where:
Base-Base interactions energy: -116.816
where: short stacking energy: -57.540
Base-Backbone interact. energy: -0.281
local terms energy: -58.480711
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -10.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -98.685910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.685910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.685910 (E_RNA)
where:
Base-Base interactions energy: -43.858
where: short stacking energy: -38.281
Base-Backbone interact. energy: -0.795
local terms energy: -54.033136
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -91.291809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.291809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.291809 (E_RNA)
where:
Base-Base interactions energy: -38.630
where: short stacking energy: -38.630
Base-Backbone interact. energy: -0.032
local terms energy: -52.629124
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -136.606234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.606234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.606234 (E_RNA)
where:
Base-Base interactions energy: -83.359
where: short stacking energy: -47.979
Base-Backbone interact. energy: -0.227
local terms energy: -53.019643
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -3.203
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -83.720035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.720035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.720035 (E_RNA)
where:
Base-Base interactions energy: -34.387
where: short stacking energy: -29.422
Base-Backbone interact. energy: 1.762
local terms energy: -51.095431
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -9.147
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: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -74.130610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.130610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.130610 (E_RNA)
where:
Base-Base interactions energy: -27.900
where: short stacking energy: -27.900
Base-Backbone interact. energy: -0.169
local terms energy: -46.061472
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -222.730682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.730682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.730682 (E_RNA)
where:
Base-Base interactions energy: -150.140
where: short stacking energy: -73.927
Base-Backbone interact. energy: 0.406
local terms energy: -72.996063
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -209.022443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.022443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.022443 (E_RNA)
where:
Base-Base interactions energy: -134.506
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.016
local terms energy: -74.500780
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -209.261466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.261466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.261466 (E_RNA)
where:
Base-Base interactions energy: -137.551
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.252
local terms energy: -71.458275
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -193.354517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.354517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.354517 (E_RNA)
where:
Base-Base interactions energy: -123.664
where: short stacking energy: -50.171
Base-Backbone interact. energy: -0.491
local terms energy: -69.199123
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -12.669
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: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -204.002909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.002909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.002909 (E_RNA)
where:
Base-Base interactions energy: -126.568
where: short stacking energy: -59.222
Base-Backbone interact. energy: 0.030
local terms energy: -77.465510
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -103.203834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.203834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.203834 (E_RNA)
where:
Base-Base interactions energy: -51.518
where: short stacking energy: -45.376
Base-Backbone interact. energy: -0.008
local terms energy: -51.677730
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -9.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -90.795826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.795826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.795826 (E_RNA)
where:
Base-Base interactions energy: -38.555
where: short stacking energy: -33.829
Base-Backbone interact. energy: -0.175
local terms energy: -52.065746
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -120.026848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.026848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.026848 (E_RNA)
where:
Base-Base interactions energy: -74.083
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.364
local terms energy: -45.580135
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -5.912
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -82.637817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.637817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.637817 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -26.473
Base-Backbone interact. energy: -0.043
local terms energy: -56.121879
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -71.624446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.624446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.624446 (E_RNA)
where:
Base-Base interactions energy: -27.370
where: short stacking energy: -27.370
Base-Backbone interact. energy: -0.148
local terms energy: -44.106601
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: 0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -223.808631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.808631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.808631 (E_RNA)
where:
Base-Base interactions energy: -151.534
where: short stacking energy: -61.657
Base-Backbone interact. energy: -1.620
local terms energy: -70.654662
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -221.606311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.606311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.606311 (E_RNA)
where:
Base-Base interactions energy: -142.659
where: short stacking energy: -71.828
Base-Backbone interact. energy: -1.146
local terms energy: -77.801438
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -216.792553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.792553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.792553 (E_RNA)
where:
Base-Base interactions energy: -143.302
where: short stacking energy: -65.611
Base-Backbone interact. energy: -0.006
local terms energy: -73.484398
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -175.982119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.982119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.982119 (E_RNA)
where:
Base-Base interactions energy: -112.525
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.102
local terms energy: -63.354897
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -206.873148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.873148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.873148 (E_RNA)
where:
Base-Base interactions energy: -127.276
where: short stacking energy: -53.033
Base-Backbone interact. energy: -0.477
local terms energy: -79.120387
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -117.176081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.176081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.176081 (E_RNA)
where:
Base-Base interactions energy: -61.477
where: short stacking energy: -25.144
Base-Backbone interact. energy: -0.334
local terms energy: -55.364425
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -0.166
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: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -130.123853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.123853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.123853 (E_RNA)
where:
Base-Base interactions energy: -81.751
where: short stacking energy: -42.749
Base-Backbone interact. energy: -0.512
local terms energy: -47.860638
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -84.527572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.527572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.527572 (E_RNA)
where:
Base-Base interactions energy: -25.551
where: short stacking energy: -25.551
Base-Backbone interact. energy: 0.580
local terms energy: -59.556177
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -100.527753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.527753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.527753 (E_RNA)
where:
Base-Base interactions energy: -54.772
where: short stacking energy: -27.194
Base-Backbone interact. energy: -1.203
local terms energy: -44.552969
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -6.861
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: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -83.321709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.321709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.321709 (E_RNA)
where:
Base-Base interactions energy: -32.670
where: short stacking energy: -32.198
Base-Backbone interact. energy: -0.156
local terms energy: -50.495953
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -9.666
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: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -214.999338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.999338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.999338 (E_RNA)
where:
Base-Base interactions energy: -145.090
where: short stacking energy: -53.804
Base-Backbone interact. energy: -0.116
local terms energy: -69.793534
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -219.032729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.032729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.032729 (E_RNA)
where:
Base-Base interactions energy: -156.916
where: short stacking energy: -53.813
Base-Backbone interact. energy: -0.372
local terms energy: -61.745061
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -209.269933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.269933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.269933 (E_RNA)
where:
Base-Base interactions energy: -133.666
where: short stacking energy: -56.664
Base-Backbone interact. energy: -2.474
local terms energy: -73.130188
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -200.250152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.250152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.250152 (E_RNA)
where:
Base-Base interactions energy: -132.161
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.600
local terms energy: -67.489568
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -178.291568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.291568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.291568 (E_RNA)
where:
Base-Base interactions energy: -117.725
where: short stacking energy: -56.842
Base-Backbone interact. energy: -0.116
local terms energy: -60.450815
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.107
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: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -133.681266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.681266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.681266 (E_RNA)
where:
Base-Base interactions energy: -81.502
where: short stacking energy: -37.795
Base-Backbone interact. energy: -0.132
local terms energy: -52.047498
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -122.512323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.512323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.512323 (E_RNA)
where:
Base-Base interactions energy: -68.517
where: short stacking energy: -37.490
Base-Backbone interact. energy: -0.158
local terms energy: -53.837654
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -93.860811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.860811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.860811 (E_RNA)
where:
Base-Base interactions energy: -50.416
where: short stacking energy: -44.847
Base-Backbone interact. energy: -1.133
local terms energy: -42.312268
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -6.829
flat angles P-C4'-P energy: -2.775
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -81.276788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.276788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.276788 (E_RNA)
where:
Base-Base interactions energy: -27.719
where: short stacking energy: -27.459
Base-Backbone interact. energy: -0.218
local terms energy: -53.340282
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -83.917980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.917980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.917980 (E_RNA)
where:
Base-Base interactions energy: -41.239
where: short stacking energy: -22.983
Base-Backbone interact. energy: -0.204
local terms energy: -42.475457
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -224.304493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.304493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.304493 (E_RNA)
where:
Base-Base interactions energy: -147.998
where: short stacking energy: -59.646
Base-Backbone interact. energy: -0.009
local terms energy: -76.298008
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -20.457
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: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -220.437416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.437416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.437416 (E_RNA)
where:
Base-Base interactions energy: -148.048
where: short stacking energy: -53.434
Base-Backbone interact. energy: -0.749
local terms energy: -71.640589
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -12.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -218.364803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.364803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.364803 (E_RNA)
where:
Base-Base interactions energy: -139.796
where: short stacking energy: -66.715
Base-Backbone interact. energy: -1.550
local terms energy: -77.018892
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -210.187761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.187761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.187761 (E_RNA)
where:
Base-Base interactions energy: -138.271
where: short stacking energy: -57.046
Base-Backbone interact. energy: -0.534
local terms energy: -71.382604
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -188.221576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.221576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.221576 (E_RNA)
where:
Base-Base interactions energy: -112.305
where: short stacking energy: -61.471
Base-Backbone interact. energy: -0.141
local terms energy: -75.775284
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -20.881
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: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -134.413856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.413856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.413856 (E_RNA)
where:
Base-Base interactions energy: -80.953
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.460
local terms energy: -53.000806
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -144.827402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.827402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.827402 (E_RNA)
where:
Base-Base interactions energy: -80.986
where: short stacking energy: -43.350
Base-Backbone interact. energy: -0.143
local terms energy: -63.697852
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -86.744860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.744860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.744860 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -26.138
Base-Backbone interact. energy: 0.621
local terms energy: -42.875159
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -6.982
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: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -95.242052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.242052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.242052 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -26.225
Base-Backbone interact. energy: -0.055
local terms energy: -58.377815
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -70.516063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.516063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.516063 (E_RNA)
where:
Base-Base interactions energy: -26.689
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.910
local terms energy: -42.917212
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -7.709
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: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -221.342969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.342969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.342969 (E_RNA)
where:
Base-Base interactions energy: -151.112
where: short stacking energy: -56.560
Base-Backbone interact. energy: -0.364
local terms energy: -69.867304
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -220.616282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.616282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.616282 (E_RNA)
where:
Base-Base interactions energy: -139.038
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.541
local terms energy: -81.037590
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -14.449
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: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -213.618294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.618294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.618294 (E_RNA)
where:
Base-Base interactions energy: -148.986
where: short stacking energy: -53.636
Base-Backbone interact. energy: -0.197
local terms energy: -64.434963
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -216.905843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.905843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.905843 (E_RNA)
where:
Base-Base interactions energy: -142.892
where: short stacking energy: -69.136
Base-Backbone interact. energy: -0.058
local terms energy: -73.956603
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -178.027076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.027076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.027076 (E_RNA)
where:
Base-Base interactions energy: -103.066
where: short stacking energy: -54.728
Base-Backbone interact. energy: -0.055
local terms energy: -74.906317
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -146.486165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.486165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.486165 (E_RNA)
where:
Base-Base interactions energy: -82.102
where: short stacking energy: -48.650
Base-Backbone interact. energy: -0.698
local terms energy: -63.686756
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -11.426
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: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -125.352520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.352520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.352520 (E_RNA)
where:
Base-Base interactions energy: -73.145
where: short stacking energy: -38.289
Base-Backbone interact. energy: -1.051
local terms energy: -51.156160
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -87.717728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.717728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.717728 (E_RNA)
where:
Base-Base interactions energy: -36.682
where: short stacking energy: -29.727
Base-Backbone interact. energy: -0.163
local terms energy: -50.873077
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -82.307904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.307904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.307904 (E_RNA)
where:
Base-Base interactions energy: -30.458
where: short stacking energy: -14.121
Base-Backbone interact. energy: 0.368
local terms energy: -52.218024
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -5.857
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: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -76.505099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.505099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.505099 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -25.518
Base-Backbone interact. energy: -0.282
local terms energy: -43.662424
where:
bonds (distance) C4'-P energy: -8.475
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -229.658476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.658476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.658476 (E_RNA)
where:
Base-Base interactions energy: -143.563
where: short stacking energy: -68.392
Base-Backbone interact. energy: -0.400
local terms energy: -85.695103
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -213.302104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.302104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.302104 (E_RNA)
where:
Base-Base interactions energy: -140.016
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.282
local terms energy: -73.003994
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -209.535129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.535129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.535129 (E_RNA)
where:
Base-Base interactions energy: -150.587
where: short stacking energy: -57.043
Base-Backbone interact. energy: 1.055
local terms energy: -60.003879
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -209.456940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.456940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.456940 (E_RNA)
where:
Base-Base interactions energy: -132.895
where: short stacking energy: -62.814
Base-Backbone interact. energy: -2.038
local terms energy: -74.523512
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -170.793336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.793336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.793336 (E_RNA)
where:
Base-Base interactions energy: -108.748
where: short stacking energy: -52.349
Base-Backbone interact. energy: -0.039
local terms energy: -62.006412
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -156.365179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.365179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.365179 (E_RNA)
where:
Base-Base interactions energy: -91.169
where: short stacking energy: -54.508
Base-Backbone interact. energy: -0.255
local terms energy: -64.941120
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -126.925490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.925490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.925490 (E_RNA)
where:
Base-Base interactions energy: -79.059
where: short stacking energy: -33.729
Base-Backbone interact. energy: 0.333
local terms energy: -48.199138
where:
bonds (distance) C4'-P energy: -6.900
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -89.257891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.257891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.257891 (E_RNA)
where:
Base-Base interactions energy: -31.259
where: short stacking energy: -26.003
Base-Backbone interact. energy: -1.135
local terms energy: -56.863686
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -76.814521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.814521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.814521 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.234
local terms energy: -38.072214
where:
bonds (distance) C4'-P energy: -7.048
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -6.908
flat angles P-C4'-P energy: -5.054
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: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -74.801995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.801995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.801995 (E_RNA)
where:
Base-Base interactions energy: -28.421
where: short stacking energy: -26.846
Base-Backbone interact. energy: -0.178
local terms energy: -46.202564
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -235.598069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.598069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.598069 (E_RNA)
where:
Base-Base interactions energy: -154.089
where: short stacking energy: -75.240
Base-Backbone interact. energy: -0.000
local terms energy: -81.508691
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -22.529
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: 443
Temperature: 0.950000
Total energy: -209.728924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.728924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.728924 (E_RNA)
where:
Base-Base interactions energy: -140.538
where: short stacking energy: -58.594
Base-Backbone interact. energy: 0.153
local terms energy: -69.344383
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -212.342260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.342260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.342260 (E_RNA)
where:
Base-Base interactions energy: -138.115
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.714
local terms energy: -73.513803
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -207.062356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.062356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.062356 (E_RNA)
where:
Base-Base interactions energy: -135.252
where: short stacking energy: -67.859
Base-Backbone interact. energy: -0.028
local terms energy: -71.782731
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -167.335484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.335484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.335484 (E_RNA)
where:
Base-Base interactions energy: -99.936
where: short stacking energy: -54.687
Base-Backbone interact. energy: -0.122
local terms energy: -67.277812
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -154.086779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.086779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.086779 (E_RNA)
where:
Base-Base interactions energy: -88.175
where: short stacking energy: -49.260
Base-Backbone interact. energy: -0.039
local terms energy: -65.872885
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -13.694
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: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -107.350935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.350935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.350935 (E_RNA)
where:
Base-Base interactions energy: -49.301
where: short stacking energy: -47.845
Base-Backbone interact. energy: 1.507
local terms energy: -59.557157
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -90.478963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.478963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.478963 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -30.156
Base-Backbone interact. energy: -0.406
local terms energy: -59.916206
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -74.230740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.230740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.230740 (E_RNA)
where:
Base-Base interactions energy: -28.874
where: short stacking energy: -25.385
Base-Backbone interact. energy: -1.215
local terms energy: -44.141351
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: 0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -76.130770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.130770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.130770 (E_RNA)
where:
Base-Base interactions energy: -39.893
where: short stacking energy: -36.810
Base-Backbone interact. energy: 1.928
local terms energy: -38.165663
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -8.940
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -9.856
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: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -218.237708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.237708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.237708 (E_RNA)
where:
Base-Base interactions energy: -148.330
where: short stacking energy: -60.778
Base-Backbone interact. energy: -0.011
local terms energy: -69.896664
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -214.461894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.461894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.461894 (E_RNA)
where:
Base-Base interactions energy: -145.471
where: short stacking energy: -53.654
Base-Backbone interact. energy: -1.271
local terms energy: -67.720255
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -226.627830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.627830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.627830 (E_RNA)
where:
Base-Base interactions energy: -149.758
where: short stacking energy: -54.229
Base-Backbone interact. energy: -1.148
local terms energy: -75.721696
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -205.549693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.549693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.549693 (E_RNA)
where:
Base-Base interactions energy: -139.327
where: short stacking energy: -52.976
Base-Backbone interact. energy: -0.113
local terms energy: -66.109405
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -9.959
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: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -160.228938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.228938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.228938 (E_RNA)
where:
Base-Base interactions energy: -97.524
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.001
local terms energy: -62.703498
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -7.419
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: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -142.807863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.807863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.807863 (E_RNA)
where:
Base-Base interactions energy: -90.517
where: short stacking energy: -48.884
Base-Backbone interact. energy: -0.652
local terms energy: -51.639430
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -92.648610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.648610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.648610 (E_RNA)
where:
Base-Base interactions energy: -37.539
where: short stacking energy: -36.726
Base-Backbone interact. energy: 2.165
local terms energy: -57.273749
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -80.551861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.551861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.551861 (E_RNA)
where:
Base-Base interactions energy: -31.389
where: short stacking energy: -27.301
Base-Backbone interact. energy: 3.284
local terms energy: -52.446764
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -69.582598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.582598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.582598 (E_RNA)
where:
Base-Base interactions energy: -30.978
where: short stacking energy: -20.471
Base-Backbone interact. energy: -0.344
local terms energy: -38.260122
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: 1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -83.745326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.745326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.745326 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -34.035
Base-Backbone interact. energy: 0.004
local terms energy: -45.705929
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -215.255029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.255029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.255029 (E_RNA)
where:
Base-Base interactions energy: -137.620
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.004
local terms energy: -77.630941
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -218.170236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.170236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.170236 (E_RNA)
where:
Base-Base interactions energy: -146.035
where: short stacking energy: -65.140
Base-Backbone interact. energy: -0.005
local terms energy: -72.130194
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -212.204719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.204719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.204719 (E_RNA)
where:
Base-Base interactions energy: -144.406
where: short stacking energy: -46.949
Base-Backbone interact. energy: 0.208
local terms energy: -68.006605
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -188.832546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.832546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.832546 (E_RNA)
where:
Base-Base interactions energy: -117.865
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.311
local terms energy: -70.656617
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -12.964
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: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -201.484475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.484475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.484475 (E_RNA)
where:
Base-Base interactions energy: -126.578
where: short stacking energy: -60.894
Base-Backbone interact. energy: -0.008
local terms energy: -74.898247
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -167.014704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.014704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.014704 (E_RNA)
where:
Base-Base interactions energy: -105.307
where: short stacking energy: -46.188
Base-Backbone interact. energy: -0.968
local terms energy: -60.740082
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -97.991308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.991308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.991308 (E_RNA)
where:
Base-Base interactions energy: -36.616
where: short stacking energy: -36.616
Base-Backbone interact. energy: -0.000
local terms energy: -61.374559
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -88.819171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.819171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.819171 (E_RNA)
where:
Base-Base interactions energy: -30.976
where: short stacking energy: -29.350
Base-Backbone interact. energy: 0.069
local terms energy: -57.912322
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -85.705390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.705390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.705390 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -21.582
Base-Backbone interact. energy: 0.706
local terms energy: -46.304447
where:
bonds (distance) C4'-P energy: -3.649
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.389
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: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -74.765650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.765650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.765650 (E_RNA)
where:
Base-Base interactions energy: -25.013
where: short stacking energy: -23.121
Base-Backbone interact. energy: -0.494
local terms energy: -49.258550
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -9.214
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: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -215.597696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.597696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.597696 (E_RNA)
where:
Base-Base interactions energy: -141.231
where: short stacking energy: -66.885
Base-Backbone interact. energy: 0.144
local terms energy: -74.511321
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -9.844
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: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -218.300055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.300055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.300055 (E_RNA)
where:
Base-Base interactions energy: -145.100
where: short stacking energy: -75.712
Base-Backbone interact. energy: -0.596
local terms energy: -72.604092
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -212.490543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.490543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.490543 (E_RNA)
where:
Base-Base interactions energy: -139.766
where: short stacking energy: -56.996
Base-Backbone interact. energy: -1.427
local terms energy: -71.298035
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -208.230455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.230455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.230455 (E_RNA)
where:
Base-Base interactions energy: -136.682
where: short stacking energy: -58.871
Base-Backbone interact. energy: -1.174
local terms energy: -70.374385
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -213.157578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.157578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.157578 (E_RNA)
where:
Base-Base interactions energy: -145.578
where: short stacking energy: -56.561
Base-Backbone interact. energy: -0.204
local terms energy: -67.375722
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -17.108
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: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -157.681677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.681677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.681677 (E_RNA)
where:
Base-Base interactions energy: -95.694
where: short stacking energy: -55.500
Base-Backbone interact. energy: -0.239
local terms energy: -61.748419
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -97.159729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.159729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.159729 (E_RNA)
where:
Base-Base interactions energy: -34.780
where: short stacking energy: -33.975
Base-Backbone interact. energy: -0.220
local terms energy: -62.159882
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -108.197830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.197830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.197830 (E_RNA)
where:
Base-Base interactions energy: -64.309
where: short stacking energy: -33.764
Base-Backbone interact. energy: -0.101
local terms energy: -43.788181
where:
bonds (distance) C4'-P energy: -5.980
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -94.789294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.789294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.789294 (E_RNA)
where:
Base-Base interactions energy: -53.667
where: short stacking energy: -35.700
Base-Backbone interact. energy: 0.157
local terms energy: -41.278557
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -1.378
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: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -73.559175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.559175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.559175 (E_RNA)
where:
Base-Base interactions energy: -28.116
where: short stacking energy: -26.512
Base-Backbone interact. energy: -0.265
local terms energy: -45.177803
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -223.895941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.895941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.895941 (E_RNA)
where:
Base-Base interactions energy: -143.632
where: short stacking energy: -73.814
Base-Backbone interact. energy: -0.112
local terms energy: -80.152097
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -213.500770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.500770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.500770 (E_RNA)
where:
Base-Base interactions energy: -147.624
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.523
local terms energy: -65.353753
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -17.010
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: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -220.133912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.133912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.133912 (E_RNA)
where:
Base-Base interactions energy: -144.158
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.438
local terms energy: -75.538287
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -21.620
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: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -206.192517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.192517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.192517 (E_RNA)
where:
Base-Base interactions energy: -135.297
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.009
local terms energy: -70.887273
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -202.496678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.496678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.496678 (E_RNA)
where:
Base-Base interactions energy: -130.108
where: short stacking energy: -63.911
Base-Backbone interact. energy: 0.880
local terms energy: -73.268463
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -169.875002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.875002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.875002 (E_RNA)
where:
Base-Base interactions energy: -102.672
where: short stacking energy: -55.409
Base-Backbone interact. energy: -0.819
local terms energy: -66.384164
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -93.566677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.566677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.566677 (E_RNA)
where:
Base-Base interactions energy: -36.851
where: short stacking energy: -37.651
Base-Backbone interact. energy: -0.214
local terms energy: -56.502505
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -87.632810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.632810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.632810 (E_RNA)
where:
Base-Base interactions energy: -42.549
where: short stacking energy: -26.720
Base-Backbone interact. energy: -0.208
local terms energy: -44.875580
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -3.190
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: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -83.982676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.982676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.982676 (E_RNA)
where:
Base-Base interactions energy: -29.637
where: short stacking energy: -26.870
Base-Backbone interact. energy: -0.111
local terms energy: -54.234900
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -72.959334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.959334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.959334 (E_RNA)
where:
Base-Base interactions energy: -41.156
where: short stacking energy: -26.690
Base-Backbone interact. energy: 1.393
local terms energy: -33.196288
where:
bonds (distance) C4'-P energy: -4.982
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -6.003
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -223.279535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.279535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279535 (E_RNA)
where:
Base-Base interactions energy: -146.301
where: short stacking energy: -74.167
Base-Backbone interact. energy: -0.002
local terms energy: -76.976911
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -211.206017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.206017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.206017 (E_RNA)
where:
Base-Base interactions energy: -139.794
where: short stacking energy: -69.966
Base-Backbone interact. energy: -0.004
local terms energy: -71.407900
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -8.020
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: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -208.174771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.174771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.174771 (E_RNA)
where:
Base-Base interactions energy: -137.247
where: short stacking energy: -61.723
Base-Backbone interact. energy: 0.017
local terms energy: -70.944019
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -6.155
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: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -216.275590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.275590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.275590 (E_RNA)
where:
Base-Base interactions energy: -142.033
where: short stacking energy: -62.024
Base-Backbone interact. energy: -0.003
local terms energy: -74.240014
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -10.284
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: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -170.017723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.017723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.017723 (E_RNA)
where:
Base-Base interactions energy: -106.787
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.311
local terms energy: -62.919669
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -202.458899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.458899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.458899 (E_RNA)
where:
Base-Base interactions energy: -134.085
where: short stacking energy: -61.784
Base-Backbone interact. energy: -0.017
local terms energy: -68.357460
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -93.551186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.551186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.551186 (E_RNA)
where:
Base-Base interactions energy: -37.343
where: short stacking energy: -37.343
Base-Backbone interact. energy: -0.113
local terms energy: -56.094895
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -91.869608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.869608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.869608 (E_RNA)
where:
Base-Base interactions energy: -44.550
where: short stacking energy: -40.456
Base-Backbone interact. energy: -0.192
local terms energy: -47.128260
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -84.449275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.449275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.449275 (E_RNA)
where:
Base-Base interactions energy: -32.254
where: short stacking energy: -30.645
Base-Backbone interact. energy: -0.053
local terms energy: -52.141843
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -78.172668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.172668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.172668 (E_RNA)
where:
Base-Base interactions energy: -26.368
where: short stacking energy: -24.657
Base-Backbone interact. energy: -0.198
local terms energy: -51.606699
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -3.578
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: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -222.912070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.912070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.912070 (E_RNA)
where:
Base-Base interactions energy: -144.034
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.003
local terms energy: -78.874346
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -210.774521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.774521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.774521 (E_RNA)
where:
Base-Base interactions energy: -137.397
where: short stacking energy: -53.538
Base-Backbone interact. energy: -0.105
local terms energy: -73.271806
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -212.400739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.400739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.400739 (E_RNA)
where:
Base-Base interactions energy: -134.005
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.080
local terms energy: -78.315808
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -210.127381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.127381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.127381 (E_RNA)
where:
Base-Base interactions energy: -135.799
where: short stacking energy: -62.801
Base-Backbone interact. energy: -0.312
local terms energy: -74.016944
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -165.408733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.408733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.408733 (E_RNA)
where:
Base-Base interactions energy: -104.517
where: short stacking energy: -58.126
Base-Backbone interact. energy: -0.006
local terms energy: -60.885806
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -9.903
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -210.037764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.037764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.037764 (E_RNA)
where:
Base-Base interactions energy: -139.987
where: short stacking energy: -59.088
Base-Backbone interact. energy: -0.442
local terms energy: -69.608900
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -105.831402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.831402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.831402 (E_RNA)
where:
Base-Base interactions energy: -53.785
where: short stacking energy: -43.510
Base-Backbone interact. energy: -0.096
local terms energy: -51.950294
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -90.735005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.735005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.735005 (E_RNA)
where:
Base-Base interactions energy: -41.700
where: short stacking energy: -41.700
Base-Backbone interact. energy: 0.665
local terms energy: -49.699513
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -7.616
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: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -81.851659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.851659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.851659 (E_RNA)
where:
Base-Base interactions energy: -32.017
where: short stacking energy: -21.166
Base-Backbone interact. energy: -0.162
local terms energy: -49.672253
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -83.809938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.809938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.809938 (E_RNA)
where:
Base-Base interactions energy: -29.054
where: short stacking energy: -24.484
Base-Backbone interact. energy: 0.543
local terms energy: -55.298879
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -229.496132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.496132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.496132 (E_RNA)
where:
Base-Base interactions energy: -151.893
where: short stacking energy: -73.975
Base-Backbone interact. energy: -0.019
local terms energy: -77.584669
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -213.908158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.908158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.908158 (E_RNA)
where:
Base-Base interactions energy: -141.483
where: short stacking energy: -51.384
Base-Backbone interact. energy: -1.161
local terms energy: -71.264312
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -209.743256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.743256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.743256 (E_RNA)
where:
Base-Base interactions energy: -135.053
where: short stacking energy: -63.388
Base-Backbone interact. energy: -0.278
local terms energy: -74.412622
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -214.497255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.497255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.497255 (E_RNA)
where:
Base-Base interactions energy: -139.613
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.341
local terms energy: -74.543297
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -202.780106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.780106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.780106 (E_RNA)
where:
Base-Base interactions energy: -142.617
where: short stacking energy: -64.965
Base-Backbone interact. energy: -0.022
local terms energy: -60.140882
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: -19.148
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: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -164.845677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.845677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.845677 (E_RNA)
where:
Base-Base interactions energy: -108.366
where: short stacking energy: -41.641
Base-Backbone interact. energy: -0.529
local terms energy: -55.951372
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -87.202720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.202720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.202720 (E_RNA)
where:
Base-Base interactions energy: -31.719
where: short stacking energy: -31.719
Base-Backbone interact. energy: -0.019
local terms energy: -55.464969
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -85.465100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.465100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.465100 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -27.938
Base-Backbone interact. energy: -0.088
local terms energy: -53.501332
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -91.638198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.638198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.638198 (E_RNA)
where:
Base-Base interactions energy: -36.664
where: short stacking energy: -27.826
Base-Backbone interact. energy: -0.245
local terms energy: -54.729490
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -11.939
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: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -84.896331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.896331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.896331 (E_RNA)
where:
Base-Base interactions energy: -42.811
where: short stacking energy: -20.974
Base-Backbone interact. energy: -0.115
local terms energy: -41.970668
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -0.076
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -228.149505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.149505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.149505 (E_RNA)
where:
Base-Base interactions energy: -149.439
where: short stacking energy: -77.512
Base-Backbone interact. energy: -0.006
local terms energy: -78.704707
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -219.437513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.437513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.437513 (E_RNA)
where:
Base-Base interactions energy: -139.709
where: short stacking energy: -68.880
Base-Backbone interact. energy: -0.014
local terms energy: -79.715338
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -214.625232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.625232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.625232 (E_RNA)
where:
Base-Base interactions energy: -143.109
where: short stacking energy: -68.412
Base-Backbone interact. energy: -0.445
local terms energy: -71.070861
where:
bonds (distance) C4'-P energy: -6.339
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -19.531
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: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -211.878742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.878742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.878742 (E_RNA)
where:
Base-Base interactions energy: -137.007
where: short stacking energy: -65.597
Base-Backbone interact. energy: -0.426
local terms energy: -74.445030
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -192.946152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.946152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.946152 (E_RNA)
where:
Base-Base interactions energy: -118.139
where: short stacking energy: -62.596
Base-Backbone interact. energy: -0.656
local terms energy: -74.151686
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -168.925479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.925479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.925479 (E_RNA)
where:
Base-Base interactions energy: -109.300
where: short stacking energy: -47.651
Base-Backbone interact. energy: -0.397
local terms energy: -59.228315
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -14.964
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: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -123.084553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.084553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.084553 (E_RNA)
where:
Base-Base interactions energy: -70.489
where: short stacking energy: -36.780
Base-Backbone interact. energy: -0.085
local terms energy: -52.510432
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -8.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -77.261364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.261364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.261364 (E_RNA)
where:
Base-Base interactions energy: -32.918
where: short stacking energy: -19.831
Base-Backbone interact. energy: -0.208
local terms energy: -44.135529
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: 3.019
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: 451
Temperature: 1.300000
Total energy: -81.815666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.815666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.815666 (E_RNA)
where:
Base-Base interactions energy: -30.774
where: short stacking energy: -27.094
Base-Backbone interact. energy: 0.296
local terms energy: -51.338023
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -11.241
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: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -79.969902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.969902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.969902 (E_RNA)
where:
Base-Base interactions energy: -30.235
where: short stacking energy: -27.908
Base-Backbone interact. energy: -0.101
local terms energy: -49.633884
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -227.369845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.369845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.369845 (E_RNA)
where:
Base-Base interactions energy: -148.909
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.002
local terms energy: -78.458552
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -224.140682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.140682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.140682 (E_RNA)
where:
Base-Base interactions energy: -141.505
where: short stacking energy: -63.335
Base-Backbone interact. energy: -0.830
local terms energy: -81.805608
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -20.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -213.883767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.883767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.883767 (E_RNA)
where:
Base-Base interactions energy: -138.699
where: short stacking energy: -65.353
Base-Backbone interact. energy: -0.001
local terms energy: -75.184479
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -14.306
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: 4, replica: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -213.231394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.231394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.231394 (E_RNA)
where:
Base-Base interactions energy: -141.513
where: short stacking energy: -53.763
Base-Backbone interact. energy: -0.073
local terms energy: -71.645368
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -186.579561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.579561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.579561 (E_RNA)
where:
Base-Base interactions energy: -119.818
where: short stacking energy: -50.859
Base-Backbone interact. energy: -0.344
local terms energy: -66.418354
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -12.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -141.559881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.559881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.559881 (E_RNA)
where:
Base-Base interactions energy: -84.092
where: short stacking energy: -39.571
Base-Backbone interact. energy: -0.240
local terms energy: -57.227612
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -92.683121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.683121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.683121 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -21.392
Base-Backbone interact. energy: -1.203
local terms energy: -53.520930
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -82.554177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.554177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.554177 (E_RNA)
where:
Base-Base interactions energy: -37.235
where: short stacking energy: -37.235
Base-Backbone interact. energy: -0.099
local terms energy: -45.220609
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -9.944
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -6.567
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: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -86.199451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.199451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.199451 (E_RNA)
where:
Base-Base interactions energy: -42.102
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.128
local terms energy: -43.969952
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: -5.426
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: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -87.355802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.355802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.355802 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -34.583
Base-Backbone interact. energy: -0.460
local terms energy: -42.185352
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -215.940655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.940655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.940655 (E_RNA)
where:
Base-Base interactions energy: -145.161
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.064
local terms energy: -70.715137
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -8.532
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: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -215.502038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.502038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.502038 (E_RNA)
where:
Base-Base interactions energy: -141.771
where: short stacking energy: -65.238
Base-Backbone interact. energy: -0.477
local terms energy: -73.253623
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -206.837116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.837116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.837116 (E_RNA)
where:
Base-Base interactions energy: -141.467
where: short stacking energy: -66.042
Base-Backbone interact. energy: -1.453
local terms energy: -63.917633
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -8.668
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -20.219
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: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -201.390606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.390606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.390606 (E_RNA)
where:
Base-Base interactions energy: -137.785
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.603
local terms energy: -63.002476
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -195.934013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.934013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.934013 (E_RNA)
where:
Base-Base interactions energy: -124.411
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.288
local terms energy: -71.234876
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -14.918
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: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -154.634568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.634568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.634568 (E_RNA)
where:
Base-Base interactions energy: -87.118
where: short stacking energy: -55.146
Base-Backbone interact. energy: 0.032
local terms energy: -67.548619
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -13.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -94.442941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.442941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.442941 (E_RNA)
where:
Base-Base interactions energy: -42.811
where: short stacking energy: -42.811
Base-Backbone interact. energy: -0.100
local terms energy: -51.532322
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -92.816087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.816087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.816087 (E_RNA)
where:
Base-Base interactions energy: -44.855
where: short stacking energy: -29.816
Base-Backbone interact. energy: -0.022
local terms energy: -47.939622
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -8.197
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: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -78.133737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.133737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.133737 (E_RNA)
where:
Base-Base interactions energy: -23.172
where: short stacking energy: -23.372
Base-Backbone interact. energy: -1.025
local terms energy: -53.937347
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -6.514
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: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -76.474067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.474067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.474067 (E_RNA)
where:
Base-Base interactions energy: -31.021
where: short stacking energy: -18.429
Base-Backbone interact. energy: -0.103
local terms energy: -45.350004
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: 0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -231.414027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.414027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.414027 (E_RNA)
where:
Base-Base interactions energy: -148.360
where: short stacking energy: -70.970
Base-Backbone interact. energy: -0.004
local terms energy: -83.049921
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -220.823678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.823678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.823678 (E_RNA)
where:
Base-Base interactions energy: -142.243
where: short stacking energy: -64.155
Base-Backbone interact. energy: -0.733
local terms energy: -77.847317
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -210.115872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.115872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.115872 (E_RNA)
where:
Base-Base interactions energy: -138.176
where: short stacking energy: -50.068
Base-Backbone interact. energy: 0.639
local terms energy: -72.578138
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -16.694
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: 454
Temperature: 1.050000
Total energy: -198.657185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.657185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.657185 (E_RNA)
where:
Base-Base interactions energy: -136.072
where: short stacking energy: -49.908
Base-Backbone interact. energy: -0.149
local terms energy: -62.436696
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -182.037064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.037064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.037064 (E_RNA)
where:
Base-Base interactions energy: -121.966
where: short stacking energy: -51.720
Base-Backbone interact. energy: -0.789
local terms energy: -59.282451
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -170.510096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.510096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.510096 (E_RNA)
where:
Base-Base interactions energy: -106.173
where: short stacking energy: -55.945
Base-Backbone interact. energy: -1.208
local terms energy: -63.129046
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -10.774
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: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -93.643723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.643723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.643723 (E_RNA)
where:
Base-Base interactions energy: -39.429
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.073
local terms energy: -54.142275
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -86.222640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.222640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.222640 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -28.324
Base-Backbone interact. energy: -0.320
local terms energy: -55.474602
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -73.350801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.350801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.350801 (E_RNA)
where:
Base-Base interactions energy: -28.352
where: short stacking energy: -21.115
Base-Backbone interact. energy: -0.281
local terms energy: -44.717161
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: 2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -72.663670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.663670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.663670 (E_RNA)
where:
Base-Base interactions energy: -21.169
where: short stacking energy: -21.005
Base-Backbone interact. energy: -0.015
local terms energy: -51.479738
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: 0.758
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: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -223.349929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.349929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.349929 (E_RNA)
where:
Base-Base interactions energy: -147.509
where: short stacking energy: -66.827
Base-Backbone interact. energy: -0.197
local terms energy: -75.643724
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -20.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -216.218590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.218590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.218590 (E_RNA)
where:
Base-Base interactions energy: -134.423
where: short stacking energy: -61.028
Base-Backbone interact. energy: -0.549
local terms energy: -81.246590
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -20.996
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: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -208.236639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.236639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.236639 (E_RNA)
where:
Base-Base interactions energy: -146.290
where: short stacking energy: -56.558
Base-Backbone interact. energy: -0.452
local terms energy: -61.493859
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -9.867
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: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -201.087584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.087584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.087584 (E_RNA)
where:
Base-Base interactions energy: -139.699
where: short stacking energy: -50.447
Base-Backbone interact. energy: 0.992
local terms energy: -62.380854
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -190.138113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.138113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.138113 (E_RNA)
where:
Base-Base interactions energy: -126.534
where: short stacking energy: -56.012
Base-Backbone interact. energy: -0.113
local terms energy: -63.491363
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -162.654222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.654222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.654222 (E_RNA)
where:
Base-Base interactions energy: -95.957
where: short stacking energy: -55.223
Base-Backbone interact. energy: -0.692
local terms energy: -66.005048
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -10.171
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: 455
Temperature: 1.200000
Total energy: -90.785710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.785710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.785710 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -35.938
Base-Backbone interact. energy: -0.088
local terms energy: -54.759283
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -5.928
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: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -86.721107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.721107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.721107 (E_RNA)
where:
Base-Base interactions energy: -34.698
where: short stacking energy: -33.723
Base-Backbone interact. energy: -0.046
local terms energy: -51.977695
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -91.530882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.530882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.530882 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -33.866
Base-Backbone interact. energy: -0.223
local terms energy: -57.442111
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.452
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: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -81.489087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.489087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.489087 (E_RNA)
where:
Base-Base interactions energy: -20.035
where: short stacking energy: -20.035
Base-Backbone interact. energy: -0.107
local terms energy: -61.347051
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -10.615
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: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -224.607042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.607042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.607042 (E_RNA)
where:
Base-Base interactions energy: -146.825
where: short stacking energy: -74.235
Base-Backbone interact. energy: -0.000
local terms energy: -77.782262
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -220.778605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.778605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.778605 (E_RNA)
where:
Base-Base interactions energy: -139.287
where: short stacking energy: -60.431
Base-Backbone interact. energy: -0.000
local terms energy: -81.491672
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.541
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: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -214.298318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.298318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.298318 (E_RNA)
where:
Base-Base interactions energy: -145.093
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.061
local terms energy: -69.144349
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -205.273110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.273110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.273110 (E_RNA)
where:
Base-Base interactions energy: -137.723
where: short stacking energy: -55.690
Base-Backbone interact. energy: -0.070
local terms energy: -67.480321
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -202.012083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.012083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.012083 (E_RNA)
where:
Base-Base interactions energy: -128.882
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.028
local terms energy: -73.101902
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -153.213757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.213757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.213757 (E_RNA)
where:
Base-Base interactions energy: -87.534
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.298
local terms energy: -65.381819
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -94.799129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.799129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.799129 (E_RNA)
where:
Base-Base interactions energy: -38.654
where: short stacking energy: -38.654
Base-Backbone interact. energy: -0.008
local terms energy: -56.136800
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -9.668
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: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -90.846970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.846970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.846970 (E_RNA)
where:
Base-Base interactions energy: -40.582
where: short stacking energy: -31.983
Base-Backbone interact. energy: 1.448
local terms energy: -51.712853
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -3.657
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: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -71.978445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.978445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.978445 (E_RNA)
where:
Base-Base interactions energy: -27.768
where: short stacking energy: -18.592
Base-Backbone interact. energy: -0.257
local terms energy: -43.952670
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: 0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -71.570785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.570785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.570785 (E_RNA)
where:
Base-Base interactions energy: -25.726
where: short stacking energy: -21.533
Base-Backbone interact. energy: -0.403
local terms energy: -45.441720
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: 4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -220.803895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.803895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.803895 (E_RNA)
where:
Base-Base interactions energy: -144.935
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.001
local terms energy: -75.867479
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -18.806
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: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -216.710769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.710769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.710769 (E_RNA)
where:
Base-Base interactions energy: -136.681
where: short stacking energy: -55.132
Base-Backbone interact. energy: -0.177
local terms energy: -79.852916
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -209.085206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.085206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.085206 (E_RNA)
where:
Base-Base interactions energy: -135.194
where: short stacking energy: -65.444
Base-Backbone interact. energy: -0.038
local terms energy: -73.852834
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -215.265907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.265907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.265907 (E_RNA)
where:
Base-Base interactions energy: -135.871
where: short stacking energy: -62.334
Base-Backbone interact. energy: -0.040
local terms energy: -79.354332
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -20.155
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: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -202.710149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.710149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.710149 (E_RNA)
where:
Base-Base interactions energy: -130.583
where: short stacking energy: -64.731
Base-Backbone interact. energy: -0.588
local terms energy: -71.539209
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -139.149510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.149510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.149510 (E_RNA)
where:
Base-Base interactions energy: -76.837
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.273
local terms energy: -62.038707
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -99.744243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.744243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.744243 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -40.033
Base-Backbone interact. energy: 0.715
local terms energy: -59.958715
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -109.312602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.312602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.312602 (E_RNA)
where:
Base-Base interactions energy: -59.590
where: short stacking energy: -27.531
Base-Backbone interact. energy: -0.860
local terms energy: -48.861830
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -83.462017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.462017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.462017 (E_RNA)
where:
Base-Base interactions energy: -24.259
where: short stacking energy: -24.259
Base-Backbone interact. energy: -0.036
local terms energy: -59.167878
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -78.410267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.410267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.410267 (E_RNA)
where:
Base-Base interactions energy: -33.058
where: short stacking energy: -24.410
Base-Backbone interact. energy: -0.278
local terms energy: -45.073682
where:
bonds (distance) C4'-P energy: -7.004
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -225.460163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.460163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.460163 (E_RNA)
where:
Base-Base interactions energy: -153.762
where: short stacking energy: -70.167
Base-Backbone interact. energy: -0.001
local terms energy: -71.697913
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -222.995550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.995550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.995550 (E_RNA)
where:
Base-Base interactions energy: -145.765
where: short stacking energy: -75.465
Base-Backbone interact. energy: -0.012
local terms energy: -77.217899
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -19.703
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: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -213.679113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.679113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.679113 (E_RNA)
where:
Base-Base interactions energy: -137.291
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.994
local terms energy: -75.394804
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -19.637
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: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -203.170531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.170531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.170531 (E_RNA)
where:
Base-Base interactions energy: -134.571
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.102
local terms energy: -68.496631
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -201.994971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.994971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.994971 (E_RNA)
where:
Base-Base interactions energy: -129.042
where: short stacking energy: -64.129
Base-Backbone interact. energy: -0.110
local terms energy: -72.843283
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -143.629559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.629559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.629559 (E_RNA)
where:
Base-Base interactions energy: -92.269
where: short stacking energy: -39.489
Base-Backbone interact. energy: -0.137
local terms energy: -51.223036
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -11.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -84.831116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831116 (E_RNA)
where:
Base-Base interactions energy: -37.417
where: short stacking energy: -19.582
Base-Backbone interact. energy: -0.225
local terms energy: -47.189086
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -87.221821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.221821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.221821 (E_RNA)
where:
Base-Base interactions energy: -40.093
where: short stacking energy: -40.093
Base-Backbone interact. energy: 0.317
local terms energy: -47.445543
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -7.314
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -10.834
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: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -86.286964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.286964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.286964 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -26.522
Base-Backbone interact. energy: 0.461
local terms energy: -48.069006
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: 3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -97.827181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.827181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.827181 (E_RNA)
where:
Base-Base interactions energy: -40.276
where: short stacking energy: -35.633
Base-Backbone interact. energy: -0.104
local terms energy: -57.447039
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -222.722418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.722418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.722418 (E_RNA)
where:
Base-Base interactions energy: -148.160
where: short stacking energy: -71.431
Base-Backbone interact. energy: -0.002
local terms energy: -74.560008
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -223.001969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.001969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.001969 (E_RNA)
where:
Base-Base interactions energy: -151.204
where: short stacking energy: -68.482
Base-Backbone interact. energy: -0.266
local terms energy: -71.532034
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -209.569198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.569198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.569198 (E_RNA)
where:
Base-Base interactions energy: -136.043
where: short stacking energy: -65.188
Base-Backbone interact. energy: -1.111
local terms energy: -72.414540
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -209.291446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.291446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.291446 (E_RNA)
where:
Base-Base interactions energy: -131.238
where: short stacking energy: -61.348
Base-Backbone interact. energy: -0.196
local terms energy: -77.857270
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -201.954041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.954041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.954041 (E_RNA)
where:
Base-Base interactions energy: -134.791
where: short stacking energy: -54.429
Base-Backbone interact. energy: -1.297
local terms energy: -65.865748
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -113.156090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.156090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.156090 (E_RNA)
where:
Base-Base interactions energy: -51.842
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.075
local terms energy: -61.239224
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -135.587875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.587875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.587875 (E_RNA)
where:
Base-Base interactions energy: -90.192
where: short stacking energy: -37.123
Base-Backbone interact. energy: -0.872
local terms energy: -44.523446
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -7.121
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -5.507
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: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -93.756215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.756215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.756215 (E_RNA)
where:
Base-Base interactions energy: -54.707
where: short stacking energy: -27.377
Base-Backbone interact. energy: -0.170
local terms energy: -38.879166
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -9.526
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -133.037805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.037805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.037805 (E_RNA)
where:
Base-Base interactions energy: -84.580
where: short stacking energy: -45.119
Base-Backbone interact. energy: -0.320
local terms energy: -48.137914
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -88.173746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.173746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.173746 (E_RNA)
where:
Base-Base interactions energy: -34.600
where: short stacking energy: -34.791
Base-Backbone interact. energy: -0.111
local terms energy: -53.462755
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -218.373944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.373944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.373944 (E_RNA)
where:
Base-Base interactions energy: -146.620
where: short stacking energy: -73.628
Base-Backbone interact. energy: -0.241
local terms energy: -71.512364
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -12.646
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: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -214.710147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.710147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.710147 (E_RNA)
where:
Base-Base interactions energy: -137.804
where: short stacking energy: -63.415
Base-Backbone interact. energy: -0.298
local terms energy: -76.607917
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -22.828
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: 460
Temperature: 1.000000
Total energy: -212.748489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.748489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.748489 (E_RNA)
where:
Base-Base interactions energy: -139.177
where: short stacking energy: -72.439
Base-Backbone interact. energy: -0.063
local terms energy: -73.508572
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -209.404629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.404629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.404629 (E_RNA)
where:
Base-Base interactions energy: -139.377
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.303
local terms energy: -69.724453
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -195.328829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.328829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.328829 (E_RNA)
where:
Base-Base interactions energy: -138.506
where: short stacking energy: -50.844
Base-Backbone interact. energy: -0.103
local terms energy: -56.719782
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -98.971403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.971403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.971403 (E_RNA)
where:
Base-Base interactions energy: -43.421
where: short stacking energy: -39.829
Base-Backbone interact. energy: -0.116
local terms energy: -55.435043
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -151.757804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.757804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.757804 (E_RNA)
where:
Base-Base interactions energy: -99.108
where: short stacking energy: -50.341
Base-Backbone interact. energy: -0.325
local terms energy: -52.325764
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -98.413774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.413774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.413774 (E_RNA)
where:
Base-Base interactions energy: -57.024
where: short stacking energy: -25.191
Base-Backbone interact. energy: 1.410
local terms energy: -42.799020
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -7.068
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -5.600
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: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -89.641623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641623 (E_RNA)
where:
Base-Base interactions energy: -38.856
where: short stacking energy: -35.203
Base-Backbone interact. energy: -0.392
local terms energy: -50.393734
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -7.379
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: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -81.879809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879809 (E_RNA)
where:
Base-Base interactions energy: -27.238
where: short stacking energy: -27.238
Base-Backbone interact. energy: -0.293
local terms energy: -54.349187
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -10.236
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: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -227.292697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.292697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.292697 (E_RNA)
where:
Base-Base interactions energy: -144.770
where: short stacking energy: -65.890
Base-Backbone interact. energy: -0.009
local terms energy: -82.514232
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -224.991588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.991588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.991588 (E_RNA)
where:
Base-Base interactions energy: -146.299
where: short stacking energy: -78.224
Base-Backbone interact. energy: -0.005
local terms energy: -78.687185
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -207.329104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.329104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.329104 (E_RNA)
where:
Base-Base interactions energy: -135.664
where: short stacking energy: -58.130
Base-Backbone interact. energy: -1.589
local terms energy: -70.075508
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -213.464496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.464496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.464496 (E_RNA)
where:
Base-Base interactions energy: -143.828
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.054
local terms energy: -69.582594
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -206.338178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.338178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.338178 (E_RNA)
where:
Base-Base interactions energy: -130.459
where: short stacking energy: -53.571
Base-Backbone interact. energy: -0.641
local terms energy: -75.238464
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -156.760367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.760367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.760367 (E_RNA)
where:
Base-Base interactions energy: -99.642
where: short stacking energy: -43.942
Base-Backbone interact. energy: 0.802
local terms energy: -57.920333
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -9.441
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: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -98.340600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.340600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.340600 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.069
local terms energy: -64.732548
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.180
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: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -94.226698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.226698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.226698 (E_RNA)
where:
Base-Base interactions energy: -36.869
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.749
local terms energy: -56.608699
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -81.208916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.208916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.208916 (E_RNA)
where:
Base-Base interactions energy: -32.494
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.083
local terms energy: -48.632365
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: 3.754
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: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -86.816039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.816039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.816039 (E_RNA)
where:
Base-Base interactions energy: -36.893
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.134
local terms energy: -49.788656
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -226.887629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.887629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.887629 (E_RNA)
where:
Base-Base interactions energy: -152.858
where: short stacking energy: -74.594
Base-Backbone interact. energy: -0.081
local terms energy: -73.948201
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.746
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: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -223.754954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.754954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.754954 (E_RNA)
where:
Base-Base interactions energy: -146.927
where: short stacking energy: -73.454
Base-Backbone interact. energy: -0.443
local terms energy: -76.384772
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -22.673
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: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -210.472652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.472652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.472652 (E_RNA)
where:
Base-Base interactions energy: -138.537
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.715
local terms energy: -71.220359
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -15.620
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: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -198.254906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.254906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.254906 (E_RNA)
where:
Base-Base interactions energy: -127.404
where: short stacking energy: -61.009
Base-Backbone interact. energy: -0.016
local terms energy: -70.834553
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -9.387
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: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -207.739942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.739942 (E_RNA)
where:
Base-Base interactions energy: -141.728
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.266
local terms energy: -65.745963
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -148.460117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.460117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.460117 (E_RNA)
where:
Base-Base interactions energy: -91.584
where: short stacking energy: -43.289
Base-Backbone interact. energy: -0.403
local terms energy: -56.473107
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -96.713779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.713779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.713779 (E_RNA)
where:
Base-Base interactions energy: -41.514
where: short stacking energy: -37.524
Base-Backbone interact. energy: 1.323
local terms energy: -56.522778
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -87.912875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.912875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.912875 (E_RNA)
where:
Base-Base interactions energy: -30.898
where: short stacking energy: -30.898
Base-Backbone interact. energy: -0.137
local terms energy: -56.878131
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -82.230267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.230267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.230267 (E_RNA)
where:
Base-Base interactions energy: -28.740
where: short stacking energy: -22.989
Base-Backbone interact. energy: -1.560
local terms energy: -51.930119
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -0.137
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: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -88.308590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.308590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.308590 (E_RNA)
where:
Base-Base interactions energy: -40.373
where: short stacking energy: -28.740
Base-Backbone interact. energy: -0.169
local terms energy: -47.767010
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: 1.751
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: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -223.256103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.256103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.256103 (E_RNA)
where:
Base-Base interactions energy: -143.309
where: short stacking energy: -75.495
Base-Backbone interact. energy: -0.058
local terms energy: -79.889484
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -22.156
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: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -218.696780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.696780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.696780 (E_RNA)
where:
Base-Base interactions energy: -138.577
where: short stacking energy: -63.043
Base-Backbone interact. energy: -0.564
local terms energy: -79.555653
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -15.752
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: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -214.594642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.594642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.594642 (E_RNA)
where:
Base-Base interactions energy: -146.837
where: short stacking energy: -62.678
Base-Backbone interact. energy: -0.125
local terms energy: -67.632989
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -211.373501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.373501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.373501 (E_RNA)
where:
Base-Base interactions energy: -133.631
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.206
local terms energy: -77.536534
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -188.753146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.753146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.753146 (E_RNA)
where:
Base-Base interactions energy: -126.234
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.033
local terms energy: -62.486047
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -155.876339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.876339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.876339 (E_RNA)
where:
Base-Base interactions energy: -90.436
where: short stacking energy: -45.611
Base-Backbone interact. energy: -0.468
local terms energy: -64.972464
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -10.784
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: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -80.851580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.851580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.851580 (E_RNA)
where:
Base-Base interactions energy: -27.546
where: short stacking energy: -27.546
Base-Backbone interact. energy: -0.068
local terms energy: -53.237559
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -6.240
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: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -84.040324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.040324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.040324 (E_RNA)
where:
Base-Base interactions energy: -38.329
where: short stacking energy: -30.173
Base-Backbone interact. energy: -0.161
local terms energy: -45.550627
where:
bonds (distance) C4'-P energy: -6.027
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -7.980
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -4.297
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: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -80.593088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.593088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.593088 (E_RNA)
where:
Base-Base interactions energy: -31.834
where: short stacking energy: -26.884
Base-Backbone interact. energy: 0.798
local terms energy: -49.556979
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -8.655
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: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -79.151239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.151239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.151239 (E_RNA)
where:
Base-Base interactions energy: -38.284
where: short stacking energy: -28.015
Base-Backbone interact. energy: 1.351
local terms energy: -42.218171
where:
bonds (distance) C4'-P energy: -7.898
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -228.393898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.393898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.393898 (E_RNA)
where:
Base-Base interactions energy: -152.299
where: short stacking energy: -69.963
Base-Backbone interact. energy: -1.633
local terms energy: -74.462515
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.701
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: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -222.230061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.230061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.230061 (E_RNA)
where:
Base-Base interactions energy: -146.062
where: short stacking energy: -65.610
Base-Backbone interact. energy: -1.294
local terms energy: -74.874671
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -20.597
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: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -207.283206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.283206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.283206 (E_RNA)
where:
Base-Base interactions energy: -132.220
where: short stacking energy: -60.778
Base-Backbone interact. energy: -1.805
local terms energy: -73.258510
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -212.311117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.311117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.311117 (E_RNA)
where:
Base-Base interactions energy: -143.511
where: short stacking energy: -63.125
Base-Backbone interact. energy: -0.001
local terms energy: -68.798775
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -22.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -198.654228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.654228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.654228 (E_RNA)
where:
Base-Base interactions energy: -137.885
where: short stacking energy: -62.452
Base-Backbone interact. energy: -1.052
local terms energy: -59.717346
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -6.539
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -17.819
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: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -150.181744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.181744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.181744 (E_RNA)
where:
Base-Base interactions energy: -93.212
where: short stacking energy: -38.648
Base-Backbone interact. energy: -0.203
local terms energy: -56.766081
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -102.591796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.591796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.591796 (E_RNA)
where:
Base-Base interactions energy: -49.758
where: short stacking energy: -34.840
Base-Backbone interact. energy: -0.264
local terms energy: -52.570378
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -99.939528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.939528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.939528 (E_RNA)
where:
Base-Base interactions energy: -46.603
where: short stacking energy: -24.032
Base-Backbone interact. energy: -0.015
local terms energy: -53.322214
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -6.182
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: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -90.277527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.277527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.277527 (E_RNA)
where:
Base-Base interactions energy: -35.254
where: short stacking energy: -33.549
Base-Backbone interact. energy: -0.049
local terms energy: -54.974335
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -71.996327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.996327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.996327 (E_RNA)
where:
Base-Base interactions energy: -31.442
where: short stacking energy: -24.694
Base-Backbone interact. energy: 0.348
local terms energy: -40.902266
where:
bonds (distance) C4'-P energy: -7.098
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -8.088
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -226.645474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.645474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.645474 (E_RNA)
where:
Base-Base interactions energy: -143.781
where: short stacking energy: -72.030
Base-Backbone interact. energy: -0.603
local terms energy: -82.261644
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -208.843500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.843500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.843500 (E_RNA)
where:
Base-Base interactions energy: -136.502
where: short stacking energy: -65.701
Base-Backbone interact. energy: -0.086
local terms energy: -72.256118
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -215.914905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.914905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.914905 (E_RNA)
where:
Base-Base interactions energy: -139.762
where: short stacking energy: -69.182
Base-Backbone interact. energy: -1.387
local terms energy: -74.766414
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -21.890
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: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -207.543139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.543139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.543139 (E_RNA)
where:
Base-Base interactions energy: -140.638
where: short stacking energy: -58.929
Base-Backbone interact. energy: -0.856
local terms energy: -66.048708
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -8.771
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: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -206.898868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.898868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.898868 (E_RNA)
where:
Base-Base interactions energy: -133.549
where: short stacking energy: -64.390
Base-Backbone interact. energy: -0.093
local terms energy: -73.256965
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -171.415747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.415747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.415747 (E_RNA)
where:
Base-Base interactions energy: -106.706
where: short stacking energy: -48.356
Base-Backbone interact. energy: -0.831
local terms energy: -63.878333
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -103.019348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.019348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.019348 (E_RNA)
where:
Base-Base interactions energy: -41.328
where: short stacking energy: -41.328
Base-Backbone interact. energy: -0.045
local terms energy: -61.646722
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -131.621881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.621881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.621881 (E_RNA)
where:
Base-Base interactions energy: -82.294
where: short stacking energy: -41.557
Base-Backbone interact. energy: -0.008
local terms energy: -49.320807
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -9.197
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -7.170
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: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -77.497739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.497739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.497739 (E_RNA)
where:
Base-Base interactions energy: -31.564
where: short stacking energy: -30.122
Base-Backbone interact. energy: -0.053
local terms energy: -45.880701
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -10.597
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: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -81.590942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.590942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.590942 (E_RNA)
where:
Base-Base interactions energy: -38.426
where: short stacking energy: -22.106
Base-Backbone interact. energy: -0.331
local terms energy: -42.834095
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -214.791468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.791468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.791468 (E_RNA)
where:
Base-Base interactions energy: -147.175
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.137
local terms energy: -67.479218
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -10.085
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: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -220.890927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.890927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.890927 (E_RNA)
where:
Base-Base interactions energy: -141.228
where: short stacking energy: -70.179
Base-Backbone interact. energy: -0.023
local terms energy: -79.640532
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -218.257493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.257493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.257493 (E_RNA)
where:
Base-Base interactions energy: -139.379
where: short stacking energy: -68.977
Base-Backbone interact. energy: -0.438
local terms energy: -78.440406
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -206.617837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.617837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.617837 (E_RNA)
where:
Base-Base interactions energy: -138.744
where: short stacking energy: -67.717
Base-Backbone interact. energy: -1.219
local terms energy: -66.655150
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -210.412931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.412931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.412931 (E_RNA)
where:
Base-Base interactions energy: -143.673
where: short stacking energy: -68.038
Base-Backbone interact. energy: -0.017
local terms energy: -66.723072
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -17.546
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: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -168.441362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.441362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.441362 (E_RNA)
where:
Base-Base interactions energy: -103.880
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.064
local terms energy: -64.497899
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -123.424670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.424670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.424670 (E_RNA)
where:
Base-Base interactions energy: -71.380
where: short stacking energy: -37.640
Base-Backbone interact. energy: -0.116
local terms energy: -51.928767
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -7.737
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: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -100.558716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.558716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.558716 (E_RNA)
where:
Base-Base interactions energy: -56.075
where: short stacking energy: -49.867
Base-Backbone interact. energy: 1.094
local terms energy: -45.577377
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -0.944
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -77.883784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.883784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.883784 (E_RNA)
where:
Base-Base interactions energy: -31.911
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.180
local terms energy: -45.792731
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -7.564
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: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -90.618826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.618826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.618826 (E_RNA)
where:
Base-Base interactions energy: -38.876
where: short stacking energy: -39.176
Base-Backbone interact. energy: 0.854
local terms energy: -52.596624
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -215.247435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.247435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.247435 (E_RNA)
where:
Base-Base interactions energy: -152.319
where: short stacking energy: -55.642
Base-Backbone interact. energy: 0.323
local terms energy: -63.251287
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -12.208
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: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -227.933357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.933357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.933357 (E_RNA)
where:
Base-Base interactions energy: -145.819
where: short stacking energy: -73.179
Base-Backbone interact. energy: -0.002
local terms energy: -82.112851
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -19.804
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: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -216.444078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.444078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.444078 (E_RNA)
where:
Base-Base interactions energy: -150.216
where: short stacking energy: -59.274
Base-Backbone interact. energy: -0.479
local terms energy: -65.749470
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -203.251962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.251962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.251962 (E_RNA)
where:
Base-Base interactions energy: -129.188
where: short stacking energy: -64.832
Base-Backbone interact. energy: -0.030
local terms energy: -74.033559
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -19.907
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: 467
Temperature: 1.100000
Total energy: -203.759680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.759680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.759680 (E_RNA)
where:
Base-Base interactions energy: -127.851
where: short stacking energy: -51.831
Base-Backbone interact. energy: -1.191
local terms energy: -74.717598
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -154.631656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.631656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.631656 (E_RNA)
where:
Base-Base interactions energy: -89.112
where: short stacking energy: -53.274
Base-Backbone interact. energy: -1.469
local terms energy: -64.050489
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -93.464593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464593 (E_RNA)
where:
Base-Base interactions energy: -37.796
where: short stacking energy: -21.684
Base-Backbone interact. energy: -0.845
local terms energy: -54.823794
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -2.088
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: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -91.346488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.346488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.346488 (E_RNA)
where:
Base-Base interactions energy: -34.123
where: short stacking energy: -33.284
Base-Backbone interact. energy: -0.355
local terms energy: -56.868666
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -79.322074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.322074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.322074 (E_RNA)
where:
Base-Base interactions energy: -27.876
where: short stacking energy: -22.262
Base-Backbone interact. energy: 0.802
local terms energy: -52.248267
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -79.984388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.984388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.984388 (E_RNA)
where:
Base-Base interactions energy: -41.815
where: short stacking energy: -30.650
Base-Backbone interact. energy: 0.101
local terms energy: -38.270269
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -0.337
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: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -225.990540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.990540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.990540 (E_RNA)
where:
Base-Base interactions energy: -151.206
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.296
local terms energy: -74.488279
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -9.535
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: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -211.435087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.435087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.435087 (E_RNA)
where:
Base-Base interactions energy: -144.523
where: short stacking energy: -54.647
Base-Backbone interact. energy: -0.192
local terms energy: -66.720852
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -14.625
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: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -218.846054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.846054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.846054 (E_RNA)
where:
Base-Base interactions energy: -143.597
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.006
local terms energy: -75.242292
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -199.512933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.512933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.512933 (E_RNA)
where:
Base-Base interactions energy: -125.463
where: short stacking energy: -53.278
Base-Backbone interact. energy: -0.370
local terms energy: -73.680225
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -200.274413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.274413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.274413 (E_RNA)
where:
Base-Base interactions energy: -129.757
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.009
local terms energy: -70.508414
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -167.778863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.778863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.778863 (E_RNA)
where:
Base-Base interactions energy: -105.704
where: short stacking energy: -43.222
Base-Backbone interact. energy: -0.035
local terms energy: -62.039738
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -12.958
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: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -105.507474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.507474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.507474 (E_RNA)
where:
Base-Base interactions energy: -50.858
where: short stacking energy: -50.858
Base-Backbone interact. energy: -0.096
local terms energy: -54.552889
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -7.983
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -1.034
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -82.528388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.528388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.528388 (E_RNA)
where:
Base-Base interactions energy: -36.100
where: short stacking energy: -22.248
Base-Backbone interact. energy: 2.076
local terms energy: -48.504843
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -89.879461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.879461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.879461 (E_RNA)
where:
Base-Base interactions energy: -40.603
where: short stacking energy: -39.882
Base-Backbone interact. energy: -0.056
local terms energy: -49.220045
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -3.987
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: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -92.590794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.590794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.590794 (E_RNA)
where:
Base-Base interactions energy: -47.752
where: short stacking energy: -32.295
Base-Backbone interact. energy: 0.108
local terms energy: -44.947522
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -223.817684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.817684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.817684 (E_RNA)
where:
Base-Base interactions energy: -142.029
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.001
local terms energy: -81.786860
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -218.505463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.505463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.505463 (E_RNA)
where:
Base-Base interactions energy: -141.720
where: short stacking energy: -66.338
Base-Backbone interact. energy: 0.112
local terms energy: -76.897278
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -209.963567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.963567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.963567 (E_RNA)
where:
Base-Base interactions energy: -138.500
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.605
local terms energy: -70.858339
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -219.876025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.876025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.876025 (E_RNA)
where:
Base-Base interactions energy: -137.527
where: short stacking energy: -65.164
Base-Backbone interact. energy: -1.090
local terms energy: -81.259529
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -211.948172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.948172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.948172 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -71.907
Base-Backbone interact. energy: -0.011
local terms energy: -70.306339
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -155.169560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.169560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.169560 (E_RNA)
where:
Base-Base interactions energy: -90.782
where: short stacking energy: -42.025
Base-Backbone interact. energy: -0.658
local terms energy: -63.729469
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -8.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -102.457945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.457945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.457945 (E_RNA)
where:
Base-Base interactions energy: -53.603
where: short stacking energy: -33.932
Base-Backbone interact. energy: -0.309
local terms energy: -48.545730
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -79.962491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.962491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.962491 (E_RNA)
where:
Base-Base interactions energy: -32.023
where: short stacking energy: -24.987
Base-Backbone interact. energy: 0.070
local terms energy: -48.010162
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -3.582
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: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -82.070623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070623 (E_RNA)
where:
Base-Base interactions energy: -43.046
where: short stacking energy: -32.827
Base-Backbone interact. energy: -0.254
local terms energy: -38.770830
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -3.363
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -1.232
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: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -73.423125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.423125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.423125 (E_RNA)
where:
Base-Base interactions energy: -18.890
where: short stacking energy: -18.890
Base-Backbone interact. energy: -0.033
local terms energy: -54.500476
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -225.339510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.339510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.339510 (E_RNA)
where:
Base-Base interactions energy: -139.696
where: short stacking energy: -66.638
Base-Backbone interact. energy: -0.602
local terms energy: -85.042010
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -224.783311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.783311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.783311 (E_RNA)
where:
Base-Base interactions energy: -148.730
where: short stacking energy: -58.776
Base-Backbone interact. energy: 0.144
local terms energy: -76.197595
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -209.944699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.944699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.944699 (E_RNA)
where:
Base-Base interactions energy: -133.998
where: short stacking energy: -52.026
Base-Backbone interact. energy: -1.194
local terms energy: -74.752171
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -220.482900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.482900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482900 (E_RNA)
where:
Base-Base interactions energy: -142.285
where: short stacking energy: -67.776
Base-Backbone interact. energy: -1.628
local terms energy: -76.569714
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -148.817071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.817071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.817071 (E_RNA)
where:
Base-Base interactions energy: -93.146
where: short stacking energy: -46.299
Base-Backbone interact. energy: -0.275
local terms energy: -55.395633
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -7.489
flat angles P-C4'-P energy: -8.463
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: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -203.692116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.692116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.692116 (E_RNA)
where:
Base-Base interactions energy: -139.866
where: short stacking energy: -59.340
Base-Backbone interact. energy: -0.006
local terms energy: -63.820414
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -15.346
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: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -91.911700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.911700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.911700 (E_RNA)
where:
Base-Base interactions energy: -41.819
where: short stacking energy: -32.406
Base-Backbone interact. energy: -0.055
local terms energy: -50.037612
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -84.824959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.824959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.824959 (E_RNA)
where:
Base-Base interactions energy: -33.302
where: short stacking energy: -33.302
Base-Backbone interact. energy: -0.245
local terms energy: -51.277439
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -8.404
flat angles P-C4'-P energy: -7.510
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: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -84.797056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.797056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.797056 (E_RNA)
where:
Base-Base interactions energy: -40.428
where: short stacking energy: -31.309
Base-Backbone interact. energy: -0.164
local terms energy: -44.205018
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -82.404973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.404973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.404973 (E_RNA)
where:
Base-Base interactions energy: -35.401
where: short stacking energy: -33.878
Base-Backbone interact. energy: 0.180
local terms energy: -47.183630
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -218.540550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.540550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.540550 (E_RNA)
where:
Base-Base interactions energy: -136.227
where: short stacking energy: -65.568
Base-Backbone interact. energy: -0.849
local terms energy: -81.464056
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -20.822
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: 471
Temperature: 0.950000
Total energy: -206.543064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.543064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.543064 (E_RNA)
where:
Base-Base interactions energy: -136.944
where: short stacking energy: -52.898
Base-Backbone interact. energy: -0.319
local terms energy: -69.280069
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -209.735192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.735192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.735192 (E_RNA)
where:
Base-Base interactions energy: -136.735
where: short stacking energy: -53.666
Base-Backbone interact. energy: -1.193
local terms energy: -71.807503
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -202.570930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.570930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.570930 (E_RNA)
where:
Base-Base interactions energy: -136.174
where: short stacking energy: -64.480
Base-Backbone interact. energy: -0.305
local terms energy: -66.091387
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -9.024
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -174.197626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.197626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.197626 (E_RNA)
where:
Base-Base interactions energy: -111.644
where: short stacking energy: -60.468
Base-Backbone interact. energy: -0.005
local terms energy: -62.548504
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -182.862110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.862110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.862110 (E_RNA)
where:
Base-Base interactions energy: -110.970
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.003
local terms energy: -71.889196
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -105.244702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.244702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.244702 (E_RNA)
where:
Base-Base interactions energy: -41.468
where: short stacking energy: -39.411
Base-Backbone interact. energy: -0.128
local terms energy: -63.648487
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -83.938470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.938470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.938470 (E_RNA)
where:
Base-Base interactions energy: -44.533
where: short stacking energy: -26.477
Base-Backbone interact. energy: 0.124
local terms energy: -39.529353
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -6.566
flat angles C4'-P-C4' energy: -7.488
flat angles P-C4'-P energy: -8.937
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: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -81.408251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.408251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.408251 (E_RNA)
where:
Base-Base interactions energy: -29.850
where: short stacking energy: -22.562
Base-Backbone interact. energy: -0.124
local terms energy: -51.434544
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -7.075
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -90.931646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.931646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.931646 (E_RNA)
where:
Base-Base interactions energy: -38.978
where: short stacking energy: -34.701
Base-Backbone interact. energy: -0.142
local terms energy: -51.811915
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -228.217956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.217956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.217956 (E_RNA)
where:
Base-Base interactions energy: -147.726
where: short stacking energy: -70.530
Base-Backbone interact. energy: -0.000
local terms energy: -80.491225
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -214.450895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.450895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.450895 (E_RNA)
where:
Base-Base interactions energy: -135.191
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.155
local terms energy: -79.104893
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -204.141872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.141872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.141872 (E_RNA)
where:
Base-Base interactions energy: -134.983
where: short stacking energy: -61.635
Base-Backbone interact. energy: -1.127
local terms energy: -68.032247
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -203.106417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.106417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.106417 (E_RNA)
where:
Base-Base interactions energy: -132.777
where: short stacking energy: -50.256
Base-Backbone interact. energy: -0.060
local terms energy: -70.269197
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -9.830
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: 472
Temperature: 1.100000
Total energy: -201.088453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.088453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.088453 (E_RNA)
where:
Base-Base interactions energy: -139.410
where: short stacking energy: -55.461
Base-Backbone interact. energy: -0.412
local terms energy: -61.266695
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -161.465714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.465714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.465714 (E_RNA)
where:
Base-Base interactions energy: -98.539
where: short stacking energy: -47.876
Base-Backbone interact. energy: -0.449
local terms energy: -62.478242
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -86.042921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.042921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.042921 (E_RNA)
where:
Base-Base interactions energy: -32.798
where: short stacking energy: -32.631
Base-Backbone interact. energy: 0.448
local terms energy: -53.692962
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -95.809702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.809702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.809702 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -30.945
Base-Backbone interact. energy: -0.245
local terms energy: -59.001661
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -75.309804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.309804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.309804 (E_RNA)
where:
Base-Base interactions energy: -27.482
where: short stacking energy: -27.482
Base-Backbone interact. energy: -0.291
local terms energy: -47.536606
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -7.426
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: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -84.112838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.112838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.112838 (E_RNA)
where:
Base-Base interactions energy: -32.124
where: short stacking energy: -20.531
Base-Backbone interact. energy: -0.143
local terms energy: -51.846041
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -9.669
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: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -222.183761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.183761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.183761 (E_RNA)
where:
Base-Base interactions energy: -143.669
where: short stacking energy: -70.188
Base-Backbone interact. energy: -0.470
local terms energy: -78.044833
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -218.147311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.147311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.147311 (E_RNA)
where:
Base-Base interactions energy: -143.652
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.347
local terms energy: -74.148668
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -214.305059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.305059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.305059 (E_RNA)
where:
Base-Base interactions energy: -142.595
where: short stacking energy: -54.479
Base-Backbone interact. energy: -1.153
local terms energy: -70.556742
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -209.760715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.760715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.760715 (E_RNA)
where:
Base-Base interactions energy: -139.788
where: short stacking energy: -58.564
Base-Backbone interact. energy: -1.018
local terms energy: -68.955161
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -12.821
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: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -203.042596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.042596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.042596 (E_RNA)
where:
Base-Base interactions energy: -130.595
where: short stacking energy: -66.174
Base-Backbone interact. energy: 0.640
local terms energy: -73.087633
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -170.884715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.884715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.884715 (E_RNA)
where:
Base-Base interactions energy: -101.054
where: short stacking energy: -40.887
Base-Backbone interact. energy: -0.003
local terms energy: -69.828386
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -6.295
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: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -97.193188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.193188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.193188 (E_RNA)
where:
Base-Base interactions energy: -33.088
where: short stacking energy: -31.027
Base-Backbone interact. energy: -0.090
local terms energy: -64.014965
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -72.001928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.001928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.001928 (E_RNA)
where:
Base-Base interactions energy: -23.914
where: short stacking energy: -23.302
Base-Backbone interact. energy: 0.343
local terms energy: -48.431046
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: 2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -74.833595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.833595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.833595 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -24.471
Base-Backbone interact. energy: -0.074
local terms energy: -45.950571
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -70.158327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.158327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.158327 (E_RNA)
where:
Base-Base interactions energy: -27.346
where: short stacking energy: -25.697
Base-Backbone interact. energy: 1.712
local terms energy: -44.524477
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -4.188
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: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -227.423135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.423135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.423135 (E_RNA)
where:
Base-Base interactions energy: -147.660
where: short stacking energy: -72.227
Base-Backbone interact. energy: -1.085
local terms energy: -78.677986
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -223.244963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.244963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.244963 (E_RNA)
where:
Base-Base interactions energy: -139.532
where: short stacking energy: -74.859
Base-Backbone interact. energy: -0.009
local terms energy: -83.703686
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -213.844223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.844223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.844223 (E_RNA)
where:
Base-Base interactions energy: -142.416
where: short stacking energy: -49.980
Base-Backbone interact. energy: -0.080
local terms energy: -71.348368
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -9.579
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: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -210.310601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.310601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.310601 (E_RNA)
where:
Base-Base interactions energy: -138.503
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.017
local terms energy: -71.790228
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -201.024756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.024756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.024756 (E_RNA)
where:
Base-Base interactions energy: -137.441
where: short stacking energy: -60.822
Base-Backbone interact. energy: -0.374
local terms energy: -63.209995
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -181.745587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.745587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.745587 (E_RNA)
where:
Base-Base interactions energy: -113.786
where: short stacking energy: -60.789
Base-Backbone interact. energy: -0.059
local terms energy: -67.901076
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -19.919
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: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -88.000899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.000899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.000899 (E_RNA)
where:
Base-Base interactions energy: -39.305
where: short stacking energy: -33.240
Base-Backbone interact. energy: -0.056
local terms energy: -48.640016
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -2.633
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: 474
Temperature: 1.250000
Total energy: -85.383899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.383899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.383899 (E_RNA)
where:
Base-Base interactions energy: -29.782
where: short stacking energy: -29.782
Base-Backbone interact. energy: -0.430
local terms energy: -55.171803
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -86.138414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.138414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.138414 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -15.220
Base-Backbone interact. energy: -0.602
local terms energy: -50.453845
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: 2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -85.981041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.981041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.981041 (E_RNA)
where:
Base-Base interactions energy: -33.437
where: short stacking energy: -33.437
Base-Backbone interact. energy: -0.080
local terms energy: -52.463778
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -6.266
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: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -220.552849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.552849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.552849 (E_RNA)
where:
Base-Base interactions energy: -141.476
where: short stacking energy: -71.624
Base-Backbone interact. energy: 0.818
local terms energy: -79.894623
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -22.590
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: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -219.924945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.924945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.924945 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -73.285
Base-Backbone interact. energy: -0.020
local terms energy: -79.214977
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -215.639316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.639316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.639316 (E_RNA)
where:
Base-Base interactions energy: -139.574
where: short stacking energy: -66.311
Base-Backbone interact. energy: -0.847
local terms energy: -75.218689
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -217.717863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.717863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.717863 (E_RNA)
where:
Base-Base interactions energy: -147.791
where: short stacking energy: -53.378
Base-Backbone interact. energy: -0.016
local terms energy: -69.910818
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -214.579579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.579579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.579579 (E_RNA)
where:
Base-Base interactions energy: -138.769
where: short stacking energy: -68.145
Base-Backbone interact. energy: -0.026
local terms energy: -75.785195
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -162.679364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.679364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.679364 (E_RNA)
where:
Base-Base interactions energy: -95.567
where: short stacking energy: -46.724
Base-Backbone interact. energy: -0.240
local terms energy: -66.872233
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -12.185
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: 475
Temperature: 1.200000
Total energy: -105.603037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.603037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.603037 (E_RNA)
where:
Base-Base interactions energy: -44.005
where: short stacking energy: -41.846
Base-Backbone interact. energy: -0.039
local terms energy: -61.559736
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -8.871
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: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -88.059855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.059855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.059855 (E_RNA)
where:
Base-Base interactions energy: -38.043
where: short stacking energy: -32.617
Base-Backbone interact. energy: -0.153
local terms energy: -49.863464
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -4.835
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: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -103.786307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.786307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.786307 (E_RNA)
where:
Base-Base interactions energy: -46.327
where: short stacking energy: -40.962
Base-Backbone interact. energy: -0.064
local terms energy: -57.395334
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -72.999862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.999862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.999862 (E_RNA)
where:
Base-Base interactions energy: -31.482
where: short stacking energy: -23.026
Base-Backbone interact. energy: -0.071
local terms energy: -41.446686
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -5.511
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: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -225.339529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.339529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.339529 (E_RNA)
where:
Base-Base interactions energy: -146.685
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.022
local terms energy: -78.632930
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -216.935016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.935016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.935016 (E_RNA)
where:
Base-Base interactions energy: -148.765
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.091
local terms energy: -68.079626
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -19.676
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: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -215.526018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.526018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.526018 (E_RNA)
where:
Base-Base interactions energy: -141.402
where: short stacking energy: -71.867
Base-Backbone interact. energy: -0.069
local terms energy: -74.054399
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -213.190959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190959 (E_RNA)
where:
Base-Base interactions energy: -141.193
where: short stacking energy: -66.497
Base-Backbone interact. energy: -0.579
local terms energy: -71.418848
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -206.585099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.585099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.585099 (E_RNA)
where:
Base-Base interactions energy: -133.817
where: short stacking energy: -64.189
Base-Backbone interact. energy: 1.436
local terms energy: -74.204828
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -148.767006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.767006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.767006 (E_RNA)
where:
Base-Base interactions energy: -84.828
where: short stacking energy: -43.471
Base-Backbone interact. energy: -0.200
local terms energy: -63.739269
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -8.590
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: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -95.477091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.477091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.477091 (E_RNA)
where:
Base-Base interactions energy: -46.734
where: short stacking energy: -44.032
Base-Backbone interact. energy: -0.613
local terms energy: -48.130420
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -0.795
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -81.000653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.000653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.000653 (E_RNA)
where:
Base-Base interactions energy: -25.105
where: short stacking energy: -24.899
Base-Backbone interact. energy: -0.097
local terms energy: -55.798307
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -6.995
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: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -80.039459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.039459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.039459 (E_RNA)
where:
Base-Base interactions energy: -31.620
where: short stacking energy: -30.400
Base-Backbone interact. energy: -0.377
local terms energy: -48.042260
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -75.396072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.396072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.396072 (E_RNA)
where:
Base-Base interactions energy: -29.238
where: short stacking energy: -29.238
Base-Backbone interact. energy: 0.037
local terms energy: -46.194607
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -225.227474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.227474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.227474 (E_RNA)
where:
Base-Base interactions energy: -147.696
where: short stacking energy: -74.670
Base-Backbone interact. energy: -0.255
local terms energy: -77.276614
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -20.877
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: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -208.599633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.599633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.599633 (E_RNA)
where:
Base-Base interactions energy: -123.594
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.415
local terms energy: -84.590739
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -213.417998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.417998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.417998 (E_RNA)
where:
Base-Base interactions energy: -137.289
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.970
local terms energy: -75.159605
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -22.127
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: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -211.635619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.635619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.635619 (E_RNA)
where:
Base-Base interactions energy: -140.701
where: short stacking energy: -70.676
Base-Backbone interact. energy: -1.264
local terms energy: -69.670869
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -17.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -207.549741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.549741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.549741 (E_RNA)
where:
Base-Base interactions energy: -133.642
where: short stacking energy: -65.123
Base-Backbone interact. energy: -0.466
local terms energy: -73.440944
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -159.433548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.433548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.433548 (E_RNA)
where:
Base-Base interactions energy: -101.968
where: short stacking energy: -53.530
Base-Backbone interact. energy: -0.161
local terms energy: -57.304632
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -100.465938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.465938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.465938 (E_RNA)
where:
Base-Base interactions energy: -47.187
where: short stacking energy: -37.965
Base-Backbone interact. energy: -1.284
local terms energy: -51.994650
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -107.861278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.861278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.861278 (E_RNA)
where:
Base-Base interactions energy: -50.626
where: short stacking energy: -47.209
Base-Backbone interact. energy: 0.218
local terms energy: -57.453666
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.096
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: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -90.229395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.229395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.229395 (E_RNA)
where:
Base-Base interactions energy: -28.755
where: short stacking energy: -28.755
Base-Backbone interact. energy: -0.027
local terms energy: -61.447795
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -83.630202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.630202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.630202 (E_RNA)
where:
Base-Base interactions energy: -40.015
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.114
local terms energy: -43.501040
where:
bonds (distance) C4'-P energy: -6.779
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -4.818
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: 478
Temperature: 0.900000
Total energy: -224.118883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.118883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.118883 (E_RNA)
where:
Base-Base interactions energy: -143.764
where: short stacking energy: -72.125
Base-Backbone interact. energy: -0.044
local terms energy: -80.311218
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -209.379972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.379972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.379972 (E_RNA)
where:
Base-Base interactions energy: -135.415
where: short stacking energy: -55.731
Base-Backbone interact. energy: -2.069
local terms energy: -71.896629
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -17.013
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: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -208.910326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.910326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.910326 (E_RNA)
where:
Base-Base interactions energy: -144.223
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.470
local terms energy: -64.216420
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -200.852146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.852146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.852146 (E_RNA)
where:
Base-Base interactions energy: -138.027
where: short stacking energy: -59.905
Base-Backbone interact. energy: -0.173
local terms energy: -62.652323
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -196.823837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.823837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.823837 (E_RNA)
where:
Base-Base interactions energy: -122.546
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.345
local terms energy: -73.933113
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -139.030101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.030101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.030101 (E_RNA)
where:
Base-Base interactions energy: -91.905
where: short stacking energy: -52.654
Base-Backbone interact. energy: 0.443
local terms energy: -47.567696
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -7.639
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -112.571082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.571082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.571082 (E_RNA)
where:
Base-Base interactions energy: -57.197
where: short stacking energy: -47.547
Base-Backbone interact. energy: -0.201
local terms energy: -55.173042
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -5.524
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: 478
Temperature: 1.250000
Total energy: -94.682697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.682697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.682697 (E_RNA)
where:
Base-Base interactions energy: -46.792
where: short stacking energy: -46.792
Base-Backbone interact. energy: -0.108
local terms energy: -47.782406
where:
bonds (distance) C4'-P energy: -6.794
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -83.396068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.396068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.396068 (E_RNA)
where:
Base-Base interactions energy: -37.476
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.109
local terms energy: -45.811561
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -0.430
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -80.800351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.800351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.800351 (E_RNA)
where:
Base-Base interactions energy: -25.405
where: short stacking energy: -25.098
Base-Backbone interact. energy: -0.196
local terms energy: -55.199791
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -225.013126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.013126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.013126 (E_RNA)
where:
Base-Base interactions energy: -144.466
where: short stacking energy: -71.472
Base-Backbone interact. energy: -0.452
local terms energy: -80.094788
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -212.777549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.777549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.777549 (E_RNA)
where:
Base-Base interactions energy: -140.938
where: short stacking energy: -52.223
Base-Backbone interact. energy: -0.392
local terms energy: -71.447339
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -9.705
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: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -198.509788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.509788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.509788 (E_RNA)
where:
Base-Base interactions energy: -136.514
where: short stacking energy: -49.196
Base-Backbone interact. energy: -0.628
local terms energy: -61.367787
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -207.179150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.179150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.179150 (E_RNA)
where:
Base-Base interactions energy: -134.571
where: short stacking energy: -65.858
Base-Backbone interact. energy: -0.171
local terms energy: -72.437131
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -18.155
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: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -191.728297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.728297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.728297 (E_RNA)
where:
Base-Base interactions energy: -127.060
where: short stacking energy: -46.153
Base-Backbone interact. energy: -0.699
local terms energy: -63.969619
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -9.445
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -158.676609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.676609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.676609 (E_RNA)
where:
Base-Base interactions energy: -94.746
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.539
local terms energy: -63.391885
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -95.688419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.688419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.688419 (E_RNA)
where:
Base-Base interactions energy: -40.736
where: short stacking energy: -25.783
Base-Backbone interact. energy: -0.091
local terms energy: -54.861435
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -6.178
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: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -86.015236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.015236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.015236 (E_RNA)
where:
Base-Base interactions energy: -34.011
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.144
local terms energy: -51.860727
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -9.578
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: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -86.290165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.290165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.290165 (E_RNA)
where:
Base-Base interactions energy: -28.336
where: short stacking energy: -28.392
Base-Backbone interact. energy: -0.275
local terms energy: -57.679505
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -84.196877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.196877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.196877 (E_RNA)
where:
Base-Base interactions energy: -33.495
where: short stacking energy: -33.495
Base-Backbone interact. energy: -0.097
local terms energy: -50.605124
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -8.444
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -229.598813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.598813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.598813 (E_RNA)
where:
Base-Base interactions energy: -149.877
where: short stacking energy: -70.812
Base-Backbone interact. energy: -0.001
local terms energy: -79.721285
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -207.840422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.840422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.840422 (E_RNA)
where:
Base-Base interactions energy: -143.537
where: short stacking energy: -62.063
Base-Backbone interact. energy: -1.017
local terms energy: -63.285874
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -196.674114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.674114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.674114 (E_RNA)
where:
Base-Base interactions energy: -132.013
where: short stacking energy: -43.749
Base-Backbone interact. energy: -0.116
local terms energy: -64.545892
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -10.527
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: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -216.370843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.370843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.370843 (E_RNA)
where:
Base-Base interactions energy: -145.636
where: short stacking energy: -57.376
Base-Backbone interact. energy: -1.431
local terms energy: -69.303721
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -174.485977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.485977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.485977 (E_RNA)
where:
Base-Base interactions energy: -106.553
where: short stacking energy: -51.117
Base-Backbone interact. energy: -0.045
local terms energy: -67.888248
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.323
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: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -162.969516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.969516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.969516 (E_RNA)
where:
Base-Base interactions energy: -104.728
where: short stacking energy: -46.740
Base-Backbone interact. energy: -0.076
local terms energy: -58.165004
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -11.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -88.210271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.210271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.210271 (E_RNA)
where:
Base-Base interactions energy: -42.367
where: short stacking energy: -24.859
Base-Backbone interact. energy: -0.638
local terms energy: -45.205086
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -7.458
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -84.410697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.410697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.410697 (E_RNA)
where:
Base-Base interactions energy: -39.908
where: short stacking energy: -22.647
Base-Backbone interact. energy: 0.301
local terms energy: -44.803592
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: 3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -79.377889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.377889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.377889 (E_RNA)
where:
Base-Base interactions energy: -29.819
where: short stacking energy: -27.718
Base-Backbone interact. energy: -0.194
local terms energy: -49.364960
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -67.740719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.740719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.740719 (E_RNA)
where:
Base-Base interactions energy: -23.353
where: short stacking energy: -23.062
Base-Backbone interact. energy: -0.245
local terms energy: -44.142278
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -227.672962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.672962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.672962 (E_RNA)
where:
Base-Base interactions energy: -152.088
where: short stacking energy: -64.087
Base-Backbone interact. energy: -0.020
local terms energy: -75.564966
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -19.654
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: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -217.133934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.133934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.133934 (E_RNA)
where:
Base-Base interactions energy: -145.920
where: short stacking energy: -54.838
Base-Backbone interact. energy: -0.061
local terms energy: -71.153175
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -12.059
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: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -213.390795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.390795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.390795 (E_RNA)
where:
Base-Base interactions energy: -149.442
where: short stacking energy: -58.619
Base-Backbone interact. energy: -1.276
local terms energy: -62.672812
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -17.339
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: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -200.445368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.445368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.445368 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -51.679
Base-Backbone interact. energy: -0.017
local terms energy: -64.516886
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -168.766322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.766322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.766322 (E_RNA)
where:
Base-Base interactions energy: -103.127
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.020
local terms energy: -65.618621
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -159.981054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.981054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.981054 (E_RNA)
where:
Base-Base interactions energy: -101.545
where: short stacking energy: -55.945
Base-Backbone interact. energy: -0.719
local terms energy: -57.716225
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -100.212142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.212142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.212142 (E_RNA)
where:
Base-Base interactions energy: -48.851
where: short stacking energy: -48.851
Base-Backbone interact. energy: -0.137
local terms energy: -51.224216
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -7.937
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: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -79.178757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.178757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.178757 (E_RNA)
where:
Base-Base interactions energy: -31.175
where: short stacking energy: -31.175
Base-Backbone interact. energy: -0.191
local terms energy: -47.812460
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -73.747650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.747650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.747650 (E_RNA)
where:
Base-Base interactions energy: -30.296
where: short stacking energy: -30.296
Base-Backbone interact. energy: -0.632
local terms energy: -42.819511
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -2.181
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: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -88.448068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.448068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.448068 (E_RNA)
where:
Base-Base interactions energy: -32.110
where: short stacking energy: -32.110
Base-Backbone interact. energy: -0.213
local terms energy: -56.124599
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -5.166
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: 482
Temperature: 0.900000
Total energy: -218.348430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.348430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.348430 (E_RNA)
where:
Base-Base interactions energy: -142.163
where: short stacking energy: -48.163
Base-Backbone interact. energy: -0.681
local terms energy: -75.503587
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -220.397237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.397237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.397237 (E_RNA)
where:
Base-Base interactions energy: -136.511
where: short stacking energy: -64.836
Base-Backbone interact. energy: -1.014
local terms energy: -82.872583
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -21.222
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: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -215.802050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.802050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.802050 (E_RNA)
where:
Base-Base interactions energy: -156.250
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.050
local terms energy: -59.501603
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -7.279
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: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -204.897185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.897185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.897185 (E_RNA)
where:
Base-Base interactions energy: -135.569
where: short stacking energy: -63.458
Base-Backbone interact. energy: 0.526
local terms energy: -69.853906
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -146.899151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.899151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.899151 (E_RNA)
where:
Base-Base interactions energy: -86.642
where: short stacking energy: -43.185
Base-Backbone interact. energy: -0.021
local terms energy: -60.236532
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -159.840067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.840067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.840067 (E_RNA)
where:
Base-Base interactions energy: -99.165
where: short stacking energy: -46.861
Base-Backbone interact. energy: -0.626
local terms energy: -60.048602
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -103.988630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.988630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.988630 (E_RNA)
where:
Base-Base interactions energy: -64.107
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.753
local terms energy: -39.128664
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -7.393
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: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -89.692415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.692415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.692415 (E_RNA)
where:
Base-Base interactions energy: -35.171
where: short stacking energy: -33.291
Base-Backbone interact. energy: -0.113
local terms energy: -54.408967
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -73.923286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.923286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.923286 (E_RNA)
where:
Base-Base interactions energy: -31.221
where: short stacking energy: -21.740
Base-Backbone interact. energy: 0.919
local terms energy: -43.621270
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: 1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -75.500711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.500711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.500711 (E_RNA)
where:
Base-Base interactions energy: -23.046
where: short stacking energy: -21.655
Base-Backbone interact. energy: -0.499
local terms energy: -51.956173
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -2.802
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: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -222.873599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.873599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.873599 (E_RNA)
where:
Base-Base interactions energy: -144.892
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.946
local terms energy: -77.035565
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -13.748
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: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -221.447089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.447089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.447089 (E_RNA)
where:
Base-Base interactions energy: -150.433
where: short stacking energy: -58.839
Base-Backbone interact. energy: -0.034
local terms energy: -70.980270
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -211.577929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.577929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.577929 (E_RNA)
where:
Base-Base interactions energy: -138.966
where: short stacking energy: -56.720
Base-Backbone interact. energy: -0.021
local terms energy: -72.591023
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -218.974804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.974804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.974804 (E_RNA)
where:
Base-Base interactions energy: -148.933
where: short stacking energy: -64.491
Base-Backbone interact. energy: -1.549
local terms energy: -68.492987
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -171.431829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.431829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.431829 (E_RNA)
where:
Base-Base interactions energy: -108.699
where: short stacking energy: -51.521
Base-Backbone interact. energy: -0.012
local terms energy: -62.720717
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -157.531081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.531081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.531081 (E_RNA)
where:
Base-Base interactions energy: -92.792
where: short stacking energy: -48.627
Base-Backbone interact. energy: 0.153
local terms energy: -64.892668
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -103.061103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.061103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.061103 (E_RNA)
where:
Base-Base interactions energy: -52.203
where: short stacking energy: -34.883
Base-Backbone interact. energy: -0.178
local terms energy: -50.680889
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -8.472
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: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -87.957712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.957712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.957712 (E_RNA)
where:
Base-Base interactions energy: -30.508
where: short stacking energy: -30.508
Base-Backbone interact. energy: -0.168
local terms energy: -57.281243
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -85.413796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.413796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.413796 (E_RNA)
where:
Base-Base interactions energy: -31.063
where: short stacking energy: -23.065
Base-Backbone interact. energy: -0.137
local terms energy: -54.214349
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -76.919808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.919808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.919808 (E_RNA)
where:
Base-Base interactions energy: -40.530
where: short stacking energy: -40.080
Base-Backbone interact. energy: 0.004
local terms energy: -36.393904
where:
bonds (distance) C4'-P energy: -6.229
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -5.906
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -1.910
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: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -224.005814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.005814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.005814 (E_RNA)
where:
Base-Base interactions energy: -152.327
where: short stacking energy: -59.521
Base-Backbone interact. energy: -1.212
local terms energy: -70.467103
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -13.169
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: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -214.592685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.592685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.592685 (E_RNA)
where:
Base-Base interactions energy: -132.175
where: short stacking energy: -59.125
Base-Backbone interact. energy: -0.004
local terms energy: -82.413967
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -17.158
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: 484
Temperature: 1.000000
Total energy: -219.223957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.223957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.223957 (E_RNA)
where:
Base-Base interactions energy: -142.429
where: short stacking energy: -61.099
Base-Backbone interact. energy: -0.105
local terms energy: -76.690025
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -206.380046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.380046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.380046 (E_RNA)
where:
Base-Base interactions energy: -132.393
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.091
local terms energy: -73.896437
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -20.661
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: 484
Temperature: 1.100000
Total energy: -166.968765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.968765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.968765 (E_RNA)
where:
Base-Base interactions energy: -103.465
where: short stacking energy: -40.928
Base-Backbone interact. energy: -0.732
local terms energy: -62.771159
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -11.589
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: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -163.405787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.405787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.405787 (E_RNA)
where:
Base-Base interactions energy: -97.033
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.094
local terms energy: -66.278070
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -98.549906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.549906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.549906 (E_RNA)
where:
Base-Base interactions energy: -46.235
where: short stacking energy: -32.401
Base-Backbone interact. energy: 0.497
local terms energy: -52.812271
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -10.791
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: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -86.680347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.680347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.680347 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.000
local terms energy: -54.251532
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -80.280973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.280973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.280973 (E_RNA)
where:
Base-Base interactions energy: -39.329
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.222
local terms energy: -40.729826
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: 4.551
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: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -83.476481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.476481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.476481 (E_RNA)
where:
Base-Base interactions energy: -36.253
where: short stacking energy: -35.066
Base-Backbone interact. energy: -0.018
local terms energy: -47.205126
where:
bonds (distance) C4'-P energy: -6.494
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -2.276
tors. eta vs tors. theta energy: -8.832
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: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -218.113986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.113986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.113986 (E_RNA)
where:
Base-Base interactions energy: -151.330
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.868
local terms energy: -65.915867
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -221.681447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.681447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.681447 (E_RNA)
where:
Base-Base interactions energy: -141.913
where: short stacking energy: -67.068
Base-Backbone interact. energy: -0.050
local terms energy: -79.718680
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -20.938
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: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -221.283987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.283987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.283987 (E_RNA)
where:
Base-Base interactions energy: -141.082
where: short stacking energy: -74.992
Base-Backbone interact. energy: -0.622
local terms energy: -79.580509
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -12.008
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: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -208.641530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.641530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.641530 (E_RNA)
where:
Base-Base interactions energy: -135.565
where: short stacking energy: -66.434
Base-Backbone interact. energy: -0.057
local terms energy: -73.019485
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -172.161272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.161272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.161272 (E_RNA)
where:
Base-Base interactions energy: -107.611
where: short stacking energy: -39.438
Base-Backbone interact. energy: -0.184
local terms energy: -64.366083
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -2.501
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -146.686716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.686716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.686716 (E_RNA)
where:
Base-Base interactions energy: -87.103
where: short stacking energy: -32.557
Base-Backbone interact. energy: -0.141
local terms energy: -59.441967
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -144.306448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.306448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.306448 (E_RNA)
where:
Base-Base interactions energy: -90.575
where: short stacking energy: -40.388
Base-Backbone interact. energy: 0.032
local terms energy: -53.762896
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -9.359
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: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -88.244207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.244207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.244207 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -34.201
Base-Backbone interact. energy: -0.014
local terms energy: -54.029029
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -8.454
flat angles P-C4'-P energy: -8.544
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: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -86.901917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901917 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -35.900
Base-Backbone interact. energy: -0.354
local terms energy: -50.647250
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -69.590237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.590237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.590237 (E_RNA)
where:
Base-Base interactions energy: -20.651
where: short stacking energy: -19.677
Base-Backbone interact. energy: -0.035
local terms energy: -48.904279
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: 3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -221.432208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.432208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.432208 (E_RNA)
where:
Base-Base interactions energy: -144.166
where: short stacking energy: -60.603
Base-Backbone interact. energy: -1.323
local terms energy: -75.942848
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -222.201319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.201319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.201319 (E_RNA)
where:
Base-Base interactions energy: -147.535
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.117
local terms energy: -74.549505
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -11.231
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: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -213.882981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.882981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.882981 (E_RNA)
where:
Base-Base interactions energy: -147.894
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.989
local terms energy: -65.000470
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -209.473985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.473985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.473985 (E_RNA)
where:
Base-Base interactions energy: -137.698
where: short stacking energy: -69.038
Base-Backbone interact. energy: -0.001
local terms energy: -71.775757
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -17.283
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: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -156.311465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.311465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.311465 (E_RNA)
where:
Base-Base interactions energy: -87.705
where: short stacking energy: -56.283
Base-Backbone interact. energy: -0.053
local terms energy: -68.553628
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -160.812684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.812684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.812684 (E_RNA)
where:
Base-Base interactions energy: -98.587
where: short stacking energy: -53.716
Base-Backbone interact. energy: -0.051
local terms energy: -62.174654
where:
bonds (distance) C4'-P energy: -5.640
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -150.044961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.044961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.044961 (E_RNA)
where:
Base-Base interactions energy: -89.328
where: short stacking energy: -45.316
Base-Backbone interact. energy: -0.183
local terms energy: -60.534649
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -10.407
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: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -85.067959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.067959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.067959 (E_RNA)
where:
Base-Base interactions energy: -35.804
where: short stacking energy: -35.804
Base-Backbone interact. energy: -0.107
local terms energy: -49.157290
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -85.285510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.285510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.285510 (E_RNA)
where:
Base-Base interactions energy: -35.178
where: short stacking energy: -25.832
Base-Backbone interact. energy: -0.084
local terms energy: -50.024279
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -2.889
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: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -82.923561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923561 (E_RNA)
where:
Base-Base interactions energy: -26.812
where: short stacking energy: -22.135
Base-Backbone interact. energy: -0.829
local terms energy: -55.282089
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -234.505263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.505263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.505263 (E_RNA)
where:
Base-Base interactions energy: -156.927
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.073
local terms energy: -77.505888
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -219.450445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.450445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.450445 (E_RNA)
where:
Base-Base interactions energy: -145.322
where: short stacking energy: -72.126
Base-Backbone interact. energy: -0.642
local terms energy: -73.486085
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -212.079069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.079069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.079069 (E_RNA)
where:
Base-Base interactions energy: -141.626
where: short stacking energy: -49.863
Base-Backbone interact. energy: -0.460
local terms energy: -69.993072
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -210.271380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.271380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.271380 (E_RNA)
where:
Base-Base interactions energy: -135.663
where: short stacking energy: -64.852
Base-Backbone interact. energy: -0.161
local terms energy: -74.447291
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -178.881595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.881595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.881595 (E_RNA)
where:
Base-Base interactions energy: -109.979
where: short stacking energy: -45.700
Base-Backbone interact. energy: -0.069
local terms energy: -68.833250
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -164.010414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.010414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.010414 (E_RNA)
where:
Base-Base interactions energy: -92.703
where: short stacking energy: -48.814
Base-Backbone interact. energy: 0.389
local terms energy: -71.696122
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -127.918341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.918341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.918341 (E_RNA)
where:
Base-Base interactions energy: -73.104
where: short stacking energy: -37.167
Base-Backbone interact. energy: -0.252
local terms energy: -54.561943
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -87.708931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.708931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.708931 (E_RNA)
where:
Base-Base interactions energy: -36.253
where: short stacking energy: -32.085
Base-Backbone interact. energy: -0.348
local terms energy: -51.107700
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: 2.198
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: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -71.089919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.089919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.089919 (E_RNA)
where:
Base-Base interactions energy: -17.493
where: short stacking energy: -17.493
Base-Backbone interact. energy: -0.224
local terms energy: -53.372755
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: 0.047
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: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -78.301833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.301833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.301833 (E_RNA)
where:
Base-Base interactions energy: -27.565
where: short stacking energy: -23.131
Base-Backbone interact. energy: -0.493
local terms energy: -50.244049
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -1.973
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: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -222.340455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.340455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.340455 (E_RNA)
where:
Base-Base interactions energy: -153.795
where: short stacking energy: -69.043
Base-Backbone interact. energy: 0.167
local terms energy: -68.711836
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -216.935755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.935755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.935755 (E_RNA)
where:
Base-Base interactions energy: -137.523
where: short stacking energy: -61.458
Base-Backbone interact. energy: -0.004
local terms energy: -79.409068
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -21.787
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: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -213.566806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.566806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.566806 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -56.659
Base-Backbone interact. energy: -0.126
local terms energy: -71.401952
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -208.255128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.255128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.255128 (E_RNA)
where:
Base-Base interactions energy: -136.726
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.038
local terms energy: -71.491110
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -179.219233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.219233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.219233 (E_RNA)
where:
Base-Base interactions energy: -110.364
where: short stacking energy: -51.247
Base-Backbone interact. energy: -0.035
local terms energy: -68.819934
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -153.117525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.117525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.117525 (E_RNA)
where:
Base-Base interactions energy: -95.730
where: short stacking energy: -50.939
Base-Backbone interact. energy: -0.182
local terms energy: -57.204690
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -140.059120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.059120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.059120 (E_RNA)
where:
Base-Base interactions energy: -94.168
where: short stacking energy: -47.839
Base-Backbone interact. energy: -0.204
local terms energy: -45.687605
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -9.133
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -8.498
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: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -78.725338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.725338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.725338 (E_RNA)
where:
Base-Base interactions energy: -32.542
where: short stacking energy: -19.699
Base-Backbone interact. energy: -0.301
local terms energy: -45.883059
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -78.091829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.091829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.091829 (E_RNA)
where:
Base-Base interactions energy: -29.680
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.106
local terms energy: -48.305560
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -73.886699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.886699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.886699 (E_RNA)
where:
Base-Base interactions energy: -26.169
where: short stacking energy: -19.300
Base-Backbone interact. energy: -0.135
local terms energy: -47.583221
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -8.033
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: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -215.161021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.161021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.161021 (E_RNA)
where:
Base-Base interactions energy: -142.690
where: short stacking energy: -69.647
Base-Backbone interact. energy: -0.252
local terms energy: -72.219891
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -20.537
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: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -206.005761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.005761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005761 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -55.127
Base-Backbone interact. energy: -1.337
local terms energy: -62.328443
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -7.365
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: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -213.626769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.626769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.626769 (E_RNA)
where:
Base-Base interactions energy: -141.779
where: short stacking energy: -57.591
Base-Backbone interact. energy: -0.505
local terms energy: -71.342502
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -11.799
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: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -223.368424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.368424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.368424 (E_RNA)
where:
Base-Base interactions energy: -139.788
where: short stacking energy: -65.790
Base-Backbone interact. energy: -0.072
local terms energy: -83.508387
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -188.443348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.443348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.443348 (E_RNA)
where:
Base-Base interactions energy: -136.250
where: short stacking energy: -62.882
Base-Backbone interact. energy: 0.526
local terms energy: -52.719372
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: 0.025
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -13.783
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: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -158.084180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.084180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.084180 (E_RNA)
where:
Base-Base interactions energy: -97.239
where: short stacking energy: -47.866
Base-Backbone interact. energy: -0.419
local terms energy: -60.425286
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -158.470827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.470827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.470827 (E_RNA)
where:
Base-Base interactions energy: -97.196
where: short stacking energy: -47.459
Base-Backbone interact. energy: -0.001
local terms energy: -61.273461
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -90.276026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.276026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.276026 (E_RNA)
where:
Base-Base interactions energy: -33.667
where: short stacking energy: -33.667
Base-Backbone interact. energy: -0.002
local terms energy: -56.607234
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -83.426025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.426025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.426025 (E_RNA)
where:
Base-Base interactions energy: -27.591
where: short stacking energy: -27.591
Base-Backbone interact. energy: -0.270
local terms energy: -55.565333
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -74.107813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.107813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.107813 (E_RNA)
where:
Base-Base interactions energy: -22.559
where: short stacking energy: -22.559
Base-Backbone interact. energy: -0.344
local terms energy: -51.204966
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -212.750715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.750715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.750715 (E_RNA)
where:
Base-Base interactions energy: -143.483
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.319
local terms energy: -68.948829
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -209.475612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.475612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.475612 (E_RNA)
where:
Base-Base interactions energy: -133.532
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.002
local terms energy: -75.941115
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -214.725777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.725777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.725777 (E_RNA)
where:
Base-Base interactions energy: -139.394
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.043
local terms energy: -75.288912
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -205.907811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.907811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.907811 (E_RNA)
where:
Base-Base interactions energy: -140.550
where: short stacking energy: -56.353
Base-Backbone interact. energy: -0.151
local terms energy: -65.206219
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -210.224022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.224022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.224022 (E_RNA)
where:
Base-Base interactions energy: -141.009
where: short stacking energy: -51.549
Base-Backbone interact. energy: -0.566
local terms energy: -68.648655
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -7.617
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: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -170.856851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.856851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.856851 (E_RNA)
where:
Base-Base interactions energy: -109.686
where: short stacking energy: -50.915
Base-Backbone interact. energy: -0.859
local terms energy: -60.312531
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -151.762796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.762796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.762796 (E_RNA)
where:
Base-Base interactions energy: -92.827
where: short stacking energy: -45.356
Base-Backbone interact. energy: 0.560
local terms energy: -59.495523
where:
bonds (distance) C4'-P energy: -8.378
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -87.643242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.643242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.643242 (E_RNA)
where:
Base-Base interactions energy: -29.990
where: short stacking energy: -29.990
Base-Backbone interact. energy: -0.094
local terms energy: -57.558921
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -89.181742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.181742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.181742 (E_RNA)
where:
Base-Base interactions energy: -43.130
where: short stacking energy: -36.364
Base-Backbone interact. energy: -0.280
local terms energy: -45.771492
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -77.247444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.247444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.247444 (E_RNA)
where:
Base-Base interactions energy: -35.411
where: short stacking energy: -28.658
Base-Backbone interact. energy: -0.591
local terms energy: -41.245717
where:
bonds (distance) C4'-P energy: -4.461
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -7.136
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -217.619972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.619972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.619972 (E_RNA)
where:
Base-Base interactions energy: -150.028
where: short stacking energy: -51.595
Base-Backbone interact. energy: -0.905
local terms energy: -66.686293
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -223.089724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.089724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.089724 (E_RNA)
where:
Base-Base interactions energy: -141.359
where: short stacking energy: -66.005
Base-Backbone interact. energy: -1.039
local terms energy: -80.691267
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -11.842
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: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -221.244034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.244034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.244034 (E_RNA)
where:
Base-Base interactions energy: -140.345
where: short stacking energy: -66.106
Base-Backbone interact. energy: 0.242
local terms energy: -81.140861
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -20.637
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: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -205.420434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.420434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.420434 (E_RNA)
where:
Base-Base interactions energy: -128.524
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.001
local terms energy: -76.895939
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -11.799
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: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -196.528056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.528056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.528056 (E_RNA)
where:
Base-Base interactions energy: -126.966
where: short stacking energy: -50.177
Base-Backbone interact. energy: -1.301
local terms energy: -68.260689
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -151.067415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.067415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.067415 (E_RNA)
where:
Base-Base interactions energy: -102.198
where: short stacking energy: -43.212
Base-Backbone interact. energy: -1.295
local terms energy: -47.574537
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -9.258
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -127.855323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.855323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.855323 (E_RNA)
where:
Base-Base interactions energy: -80.368
where: short stacking energy: -35.420
Base-Backbone interact. energy: -0.209
local terms energy: -47.278675
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -97.570991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.570991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.570991 (E_RNA)
where:
Base-Base interactions energy: -44.230
where: short stacking energy: -34.616
Base-Backbone interact. energy: -0.071
local terms energy: -53.270163
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -7.059
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: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -78.568887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.568887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.568887 (E_RNA)
where:
Base-Base interactions energy: -24.893
where: short stacking energy: -23.363
Base-Backbone interact. energy: 0.069
local terms energy: -53.744909
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -80.456380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.456380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.456380 (E_RNA)
where:
Base-Base interactions energy: -35.060
where: short stacking energy: -35.060
Base-Backbone interact. energy: -0.132
local terms energy: -45.264110
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -8.683
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -228.495431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.495431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.495431 (E_RNA)
where:
Base-Base interactions energy: -152.100
where: short stacking energy: -64.838
Base-Backbone interact. energy: -0.014
local terms energy: -76.380939
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -220.987699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.987699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.987699 (E_RNA)
where:
Base-Base interactions energy: -150.804
where: short stacking energy: -53.045
Base-Backbone interact. energy: -0.513
local terms energy: -69.671133
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -12.938
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: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -220.401782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.401782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.401782 (E_RNA)
where:
Base-Base interactions energy: -148.601
where: short stacking energy: -56.159
Base-Backbone interact. energy: -1.391
local terms energy: -70.409200
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -204.696831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.696831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.696831 (E_RNA)
where:
Base-Base interactions energy: -145.233
where: short stacking energy: -49.615
Base-Backbone interact. energy: -0.118
local terms energy: -59.345496
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -12.039
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: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -202.849078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.849078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.849078 (E_RNA)
where:
Base-Base interactions energy: -132.321
where: short stacking energy: -48.570
Base-Backbone interact. energy: -0.909
local terms energy: -69.619579
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -162.738289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.738289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.738289 (E_RNA)
where:
Base-Base interactions energy: -100.683
where: short stacking energy: -49.733
Base-Backbone interact. energy: -0.306
local terms energy: -61.749256
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -76.924752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.924752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.924752 (E_RNA)
where:
Base-Base interactions energy: -29.449
where: short stacking energy: -19.497
Base-Backbone interact. energy: 0.061
local terms energy: -47.536584
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -132.352484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.352484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.352484 (E_RNA)
where:
Base-Base interactions energy: -82.064
where: short stacking energy: -35.050
Base-Backbone interact. energy: -0.017
local terms energy: -50.271473
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.240
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: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -77.704322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.704322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.704322 (E_RNA)
where:
Base-Base interactions energy: -33.326
where: short stacking energy: -33.326
Base-Backbone interact. energy: -1.739
local terms energy: -42.639232
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -5.407
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -86.893888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.893888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.893888 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -26.481
Base-Backbone interact. energy: -0.741
local terms energy: -55.004353
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -225.244733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.244733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.244733 (E_RNA)
where:
Base-Base interactions energy: -149.532
where: short stacking energy: -64.871
Base-Backbone interact. energy: -0.061
local terms energy: -75.651331
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -213.828758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.828758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.828758 (E_RNA)
where:
Base-Base interactions energy: -149.280
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.587
local terms energy: -63.961425
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -206.349617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.349617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.349617 (E_RNA)
where:
Base-Base interactions energy: -136.943
where: short stacking energy: -53.197
Base-Backbone interact. energy: -1.471
local terms energy: -67.935732
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -210.382413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.382413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.382413 (E_RNA)
where:
Base-Base interactions energy: -141.108
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.006
local terms energy: -69.267993
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -204.967997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.967997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.967997 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -68.248
Base-Backbone interact. energy: -0.084
local terms energy: -66.830711
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -147.746281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.746281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.746281 (E_RNA)
where:
Base-Base interactions energy: -88.316
where: short stacking energy: -40.856
Base-Backbone interact. energy: -0.166
local terms energy: -59.264015
where:
bonds (distance) C4'-P energy: -7.331
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -83.948528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.948528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.948528 (E_RNA)
where:
Base-Base interactions energy: -32.022
where: short stacking energy: -29.825
Base-Backbone interact. energy: -0.109
local terms energy: -51.817147
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -125.145398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.145398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.145398 (E_RNA)
where:
Base-Base interactions energy: -73.317
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.782
local terms energy: -51.047194
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -71.865052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.865052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.865052 (E_RNA)
where:
Base-Base interactions energy: -24.944
where: short stacking energy: -16.964
Base-Backbone interact. energy: -0.101
local terms energy: -46.820184
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: 1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -79.083118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.083118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.083118 (E_RNA)
where:
Base-Base interactions energy: -30.221
where: short stacking energy: -28.222
Base-Backbone interact. energy: -0.207
local terms energy: -48.655799
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -230.724273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.724273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.724273 (E_RNA)
where:
Base-Base interactions energy: -143.552
where: short stacking energy: -68.282
Base-Backbone interact. energy: -1.598
local terms energy: -85.573761
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -22.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -207.064093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.064093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.064093 (E_RNA)
where:
Base-Base interactions energy: -141.409
where: short stacking energy: -44.206
Base-Backbone interact. energy: -0.717
local terms energy: -64.938257
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -212.923028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.923028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.923028 (E_RNA)
where:
Base-Base interactions energy: -137.756
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.082
local terms energy: -75.085218
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -22.565
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: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -211.249368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.249368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.249368 (E_RNA)
where:
Base-Base interactions energy: -143.265
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.148
local terms energy: -67.835641
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -7.628
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: 5, replica: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -159.814294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.814294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.814294 (E_RNA)
where:
Base-Base interactions energy: -98.994
where: short stacking energy: -54.077
Base-Backbone interact. energy: -0.644
local terms energy: -60.176277
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -200.512643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.512643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.512643 (E_RNA)
where:
Base-Base interactions energy: -130.959
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.195
local terms energy: -69.358390
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -136.186675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.186675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.186675 (E_RNA)
where:
Base-Base interactions energy: -89.116
where: short stacking energy: -48.335
Base-Backbone interact. energy: -1.170
local terms energy: -45.900939
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -8.800
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: 8, replica: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -86.136781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.136781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.136781 (E_RNA)
where:
Base-Base interactions energy: -39.971
where: short stacking energy: -24.951
Base-Backbone interact. energy: -0.272
local terms energy: -45.893298
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -70.475280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.475280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.475280 (E_RNA)
where:
Base-Base interactions energy: -34.162
where: short stacking energy: -21.858
Base-Backbone interact. energy: -0.449
local terms energy: -35.864395
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -5.762
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: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -76.732866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.732866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.732866 (E_RNA)
where:
Base-Base interactions energy: -27.160
where: short stacking energy: -17.264
Base-Backbone interact. energy: -0.460
local terms energy: -49.113336
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: 1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -229.841186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.841186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.841186 (E_RNA)
where:
Base-Base interactions energy: -152.342
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.004
local terms energy: -77.494461
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -203.564562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.564562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.564562 (E_RNA)
where:
Base-Base interactions energy: -138.231
where: short stacking energy: -55.061
Base-Backbone interact. energy: -0.436
local terms energy: -64.897487
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -209.488938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.488938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.488938 (E_RNA)
where:
Base-Base interactions energy: -149.578
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.563
local terms energy: -59.348353
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -208.254948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.254948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.254948 (E_RNA)
where:
Base-Base interactions energy: -147.703
where: short stacking energy: -53.404
Base-Backbone interact. energy: 0.489
local terms energy: -61.041324
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -7.572
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: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -168.224775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.224775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.224775 (E_RNA)
where:
Base-Base interactions energy: -95.658
where: short stacking energy: -43.791
Base-Backbone interact. energy: -0.792
local terms energy: -71.775294
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -197.938412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.938412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.938412 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -57.640
Base-Backbone interact. energy: -0.402
local terms energy: -64.901925
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -141.235840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.235840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.235840 (E_RNA)
where:
Base-Base interactions energy: -82.683
where: short stacking energy: -44.942
Base-Backbone interact. energy: 0.519
local terms energy: -59.071964
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -99.651741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.651741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.651741 (E_RNA)
where:
Base-Base interactions energy: -50.002
where: short stacking energy: -41.735
Base-Backbone interact. energy: -0.389
local terms energy: -49.261480
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -82.297153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.297153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.297153 (E_RNA)
where:
Base-Base interactions energy: -19.363
where: short stacking energy: -19.363
Base-Backbone interact. energy: -0.143
local terms energy: -62.791193
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -79.438055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.438055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.438055 (E_RNA)
where:
Base-Base interactions energy: -31.677
where: short stacking energy: -31.163
Base-Backbone interact. energy: -0.068
local terms energy: -47.693000
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -3.770
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: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -229.550394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.550394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.550394 (E_RNA)
where:
Base-Base interactions energy: -148.448
where: short stacking energy: -64.264
Base-Backbone interact. energy: -1.607
local terms energy: -79.495050
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -23.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -211.929263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.929263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.929263 (E_RNA)
where:
Base-Base interactions energy: -144.504
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.899
local terms energy: -66.526263
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -213.159012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.159012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.159012 (E_RNA)
where:
Base-Base interactions energy: -145.723
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.143
local terms energy: -67.293401
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -216.968944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.968944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.968944 (E_RNA)
where:
Base-Base interactions energy: -140.776
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.115
local terms energy: -76.078421
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -207.393112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.393112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.393112 (E_RNA)
where:
Base-Base interactions energy: -132.860
where: short stacking energy: -58.760
Base-Backbone interact. energy: -0.488
local terms energy: -74.044665
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -18.665
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: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -148.840372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.840372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.840372 (E_RNA)
where:
Base-Base interactions energy: -95.035
where: short stacking energy: -40.493
Base-Backbone interact. energy: -0.605
local terms energy: -53.199792
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -143.385164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.385164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.385164 (E_RNA)
where:
Base-Base interactions energy: -77.236
where: short stacking energy: -39.995
Base-Backbone interact. energy: -0.232
local terms energy: -65.916428
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -86.936459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.936459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.936459 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -29.793
Base-Backbone interact. energy: -0.223
local terms energy: -56.920742
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -3.978
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: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -74.213087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.213087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.213087 (E_RNA)
where:
Base-Base interactions energy: -29.204
where: short stacking energy: -27.849
Base-Backbone interact. energy: 3.063
local terms energy: -48.072071
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -1.032
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -81.467971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.467971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.467971 (E_RNA)
where:
Base-Base interactions energy: -33.959
where: short stacking energy: -33.442
Base-Backbone interact. energy: -0.158
local terms energy: -47.351878
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -5.613
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: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -226.645509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.645509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.645509 (E_RNA)
where:
Base-Base interactions energy: -153.089
where: short stacking energy: -78.471
Base-Backbone interact. energy: -0.006
local terms energy: -73.550654
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -20.220
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: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -207.937457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.937457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.937457 (E_RNA)
where:
Base-Base interactions energy: -143.006
where: short stacking energy: -54.207
Base-Backbone interact. energy: -0.727
local terms energy: -64.204353
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -9.969
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: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -220.676278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.676278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.676278 (E_RNA)
where:
Base-Base interactions energy: -146.630
where: short stacking energy: -57.456
Base-Backbone interact. energy: -2.601
local terms energy: -71.445297
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -208.123132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.123132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.123132 (E_RNA)
where:
Base-Base interactions energy: -128.345
where: short stacking energy: -62.681
Base-Backbone interact. energy: -1.985
local terms energy: -77.793209
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -216.261870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.261870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.261870 (E_RNA)
where:
Base-Base interactions energy: -142.463
where: short stacking energy: -73.481
Base-Backbone interact. energy: 0.044
local terms energy: -73.843193
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -24.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -137.830434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.830434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.830434 (E_RNA)
where:
Base-Base interactions energy: -83.017
where: short stacking energy: -36.630
Base-Backbone interact. energy: 1.209
local terms energy: -56.022064
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -5.632
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: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -126.062010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.062010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.062010 (E_RNA)
where:
Base-Base interactions energy: -73.391
where: short stacking energy: -34.323
Base-Backbone interact. energy: -0.192
local terms energy: -52.479457
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -89.287615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.287615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.287615 (E_RNA)
where:
Base-Base interactions energy: -28.325
where: short stacking energy: -25.098
Base-Backbone interact. energy: -0.365
local terms energy: -60.598169
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -89.083432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.083432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.083432 (E_RNA)
where:
Base-Base interactions energy: -36.241
where: short stacking energy: -36.241
Base-Backbone interact. energy: -0.459
local terms energy: -52.383735
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -8.873
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -75.881954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.881954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.881954 (E_RNA)
where:
Base-Base interactions energy: -28.009
where: short stacking energy: -27.055
Base-Backbone interact. energy: -0.216
local terms energy: -47.656939
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -8.648
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: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -220.143221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.143221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.143221 (E_RNA)
where:
Base-Base interactions energy: -146.069
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.502
local terms energy: -73.572693
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -222.484283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.484283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.484283 (E_RNA)
where:
Base-Base interactions energy: -144.242
where: short stacking energy: -70.483
Base-Backbone interact. energy: -0.277
local terms energy: -77.965181
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -209.827280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.827280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.827280 (E_RNA)
where:
Base-Base interactions energy: -144.149
where: short stacking energy: -67.247
Base-Backbone interact. energy: -0.003
local terms energy: -65.674832
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -20.432
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: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -206.923453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.923453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.923453 (E_RNA)
where:
Base-Base interactions energy: -142.608
where: short stacking energy: -68.406
Base-Backbone interact. energy: -0.001
local terms energy: -64.314564
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -9.772
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -14.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -206.094888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.094888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.094888 (E_RNA)
where:
Base-Base interactions energy: -134.156
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.009
local terms energy: -71.930426
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -159.645958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.645958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.645958 (E_RNA)
where:
Base-Base interactions energy: -98.143
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.168
local terms energy: -61.334907
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -100.470105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.470105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.470105 (E_RNA)
where:
Base-Base interactions energy: -43.586
where: short stacking energy: -42.502
Base-Backbone interact. energy: -0.002
local terms energy: -56.881847
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -90.155275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.155275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.155275 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -29.651
Base-Backbone interact. energy: -0.065
local terms energy: -59.479834
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -79.042493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.042493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.042493 (E_RNA)
where:
Base-Base interactions energy: -36.130
where: short stacking energy: -32.500
Base-Backbone interact. energy: 0.891
local terms energy: -43.803334
where:
bonds (distance) C4'-P energy: -7.683
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -82.354790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.354790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.354790 (E_RNA)
where:
Base-Base interactions energy: -39.279
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.374
local terms energy: -42.702230
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -214.119430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.119430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.119430 (E_RNA)
where:
Base-Base interactions energy: -144.797
where: short stacking energy: -58.236
Base-Backbone interact. energy: -0.556
local terms energy: -68.766044
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -226.259965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.259965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.259965 (E_RNA)
where:
Base-Base interactions energy: -146.670
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.007
local terms energy: -79.583449
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -19.163
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: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -214.389617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.389617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.389617 (E_RNA)
where:
Base-Base interactions energy: -136.150
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.723
local terms energy: -77.516421
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -214.725840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.725840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.725840 (E_RNA)
where:
Base-Base interactions energy: -136.024
where: short stacking energy: -72.798
Base-Backbone interact. energy: -0.464
local terms energy: -78.237715
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -18.745
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: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -200.913699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.913699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.913699 (E_RNA)
where:
Base-Base interactions energy: -138.056
where: short stacking energy: -51.224
Base-Backbone interact. energy: -0.072
local terms energy: -62.785572
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -164.721753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.721753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.721753 (E_RNA)
where:
Base-Base interactions energy: -96.422
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.065
local terms energy: -68.234420
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -12.949
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: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -101.849619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.849619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.849619 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -32.331
Base-Backbone interact. energy: -0.135
local terms energy: -58.971747
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -82.594881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.594881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.594881 (E_RNA)
where:
Base-Base interactions energy: -35.258
where: short stacking energy: -28.705
Base-Backbone interact. energy: -0.204
local terms energy: -47.132712
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -80.437338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.437338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.437338 (E_RNA)
where:
Base-Base interactions energy: -41.667
where: short stacking energy: -27.453
Base-Backbone interact. energy: -0.384
local terms energy: -38.386283
where:
bonds (distance) C4'-P energy: -7.197
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -2.085
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -83.151327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.151327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.151327 (E_RNA)
where:
Base-Base interactions energy: -32.347
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.317
local terms energy: -50.486987
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -226.952772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.952772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.952772 (E_RNA)
where:
Base-Base interactions energy: -143.528
where: short stacking energy: -72.996
Base-Backbone interact. energy: -1.638
local terms energy: -81.786513
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -225.322543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.322543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.322543 (E_RNA)
where:
Base-Base interactions energy: -152.950
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.120
local terms energy: -72.252965
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -212.820980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.820980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.820980 (E_RNA)
where:
Base-Base interactions energy: -134.972
where: short stacking energy: -55.650
Base-Backbone interact. energy: 1.226
local terms energy: -79.075379
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -210.507568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.507568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.507568 (E_RNA)
where:
Base-Base interactions energy: -135.052
where: short stacking energy: -64.462
Base-Backbone interact. energy: -0.860
local terms energy: -74.595223
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.084
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: 5, replica: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -201.883689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.883689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.883689 (E_RNA)
where:
Base-Base interactions energy: -131.415
where: short stacking energy: -60.397
Base-Backbone interact. energy: -0.201
local terms energy: -70.266993
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -164.810925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.810925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.810925 (E_RNA)
where:
Base-Base interactions energy: -96.015
where: short stacking energy: -52.336
Base-Backbone interact. energy: -0.007
local terms energy: -68.789360
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -94.971446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.971446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.971446 (E_RNA)
where:
Base-Base interactions energy: -38.498
where: short stacking energy: -28.269
Base-Backbone interact. energy: 0.130
local terms energy: -56.602907
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -100.316370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.316370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.316370 (E_RNA)
where:
Base-Base interactions energy: -46.716
where: short stacking energy: -46.716
Base-Backbone interact. energy: -0.041
local terms energy: -53.558802
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -106.540193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.540193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.540193 (E_RNA)
where:
Base-Base interactions energy: -58.546
where: short stacking energy: -41.645
Base-Backbone interact. energy: -0.947
local terms energy: -47.046593
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -4.824
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: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -80.825676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.825676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.825676 (E_RNA)
where:
Base-Base interactions energy: -37.138
where: short stacking energy: -30.096
Base-Backbone interact. energy: 0.099
local terms energy: -43.786496
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -2.736
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -226.583395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.583395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.583395 (E_RNA)
where:
Base-Base interactions energy: -154.243
where: short stacking energy: -67.193
Base-Backbone interact. energy: -0.583
local terms energy: -71.757409
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -215.796826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.796826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.796826 (E_RNA)
where:
Base-Base interactions energy: -139.456
where: short stacking energy: -69.605
Base-Backbone interact. energy: -0.683
local terms energy: -75.657581
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -20.851
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: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -218.875287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.875287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.875287 (E_RNA)
where:
Base-Base interactions energy: -144.629
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.199
local terms energy: -74.046813
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -212.881939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.881939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.881939 (E_RNA)
where:
Base-Base interactions energy: -139.683
where: short stacking energy: -59.405
Base-Backbone interact. energy: -2.119
local terms energy: -71.080438
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -19.990
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: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -210.957645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.957645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.957645 (E_RNA)
where:
Base-Base interactions energy: -134.081
where: short stacking energy: -69.116
Base-Backbone interact. energy: -0.074
local terms energy: -76.802405
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -147.663305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.663305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.663305 (E_RNA)
where:
Base-Base interactions energy: -85.332
where: short stacking energy: -43.818
Base-Backbone interact. energy: -0.115
local terms energy: -62.216758
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -111.683094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.683094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.683094 (E_RNA)
where:
Base-Base interactions energy: -51.677
where: short stacking energy: -51.569
Base-Backbone interact. energy: -0.838
local terms energy: -59.167374
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -13.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -103.351226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.351226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.351226 (E_RNA)
where:
Base-Base interactions energy: -48.339
where: short stacking energy: -34.392
Base-Backbone interact. energy: 1.719
local terms energy: -56.731374
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -74.064103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.064103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.064103 (E_RNA)
where:
Base-Base interactions energy: -29.323
where: short stacking energy: -25.423
Base-Backbone interact. energy: -0.059
local terms energy: -44.682607
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -3.346
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: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -74.023451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.023451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.023451 (E_RNA)
where:
Base-Base interactions energy: -31.002
where: short stacking energy: -15.058
Base-Backbone interact. energy: -0.238
local terms energy: -42.783792
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -8.213
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)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 12002088
moves confirmed later: 13475612
all moves confirmed: 25477700
percent of confirmed moves: 3.184712
current total energy: -210.564312
recalc. total energy: -210.564312
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 11581214
moves confirmed later: 12976069
all moves confirmed: 24557283
percent of confirmed moves: 3.069660
current total energy: -181.213182
recalc. total energy: -181.213182
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 21360427
moves confirmed later: 25742419
all moves confirmed: 47102846
percent of confirmed moves: 5.887856
current total energy: -166.368295
recalc. total energy: -166.368295
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 15573744
moves confirmed later: 18148841
all moves confirmed: 33722585
percent of confirmed moves: 4.215323
current total energy: -183.076703
recalc. total energy: -183.076703
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 14529441
moves confirmed later: 16819035
all moves confirmed: 31348476
percent of confirmed moves: 3.918560
current total energy: -151.912923
recalc. total energy: -151.912923
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 20583721
moves confirmed later: 24642349
all moves confirmed: 45226070
percent of confirmed moves: 5.653259
current total energy: -91.072561
recalc. total energy: -91.072561
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 23816881
moves confirmed later: 29011417
all moves confirmed: 52828298
percent of confirmed moves: 6.603537
current total energy: -62.998906
recalc. total energy: -62.998906
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 21678310
moves confirmed later: 26129116
all moves confirmed: 47807426
percent of confirmed moves: 5.975928
current total energy: -43.731614
recalc. total energy: -43.731614
replica 10 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 18453720
moves confirmed later: 21852567
all moves confirmed: 40306287
percent of confirmed moves: 5.038286
current total energy: -44.914343
recalc. total energy: -44.914343
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 24809343
moves confirmed later: 30339097
all moves confirmed: 55148440
percent of confirmed moves: 6.893555
current total energy: -23.709218
recalc. total energy: -23.709218
out arg RESULTS//1/KFDV-97ef3484_01
Time of doing 8000000 iterations: 2710.256 seconds